Mercurial > repos > recetox > matchms

comparison test-data/convert/msp_out.msp @ 21:9e579ff6a253 draft default tip

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32
author recetox
date Thu, 25 May 2023 09:03:03 +0000
parents 5b42bafe3b3c
children
comparison
equal deleted inserted replaced
20:d3061ac0e437 21:9e579ff6a253
1 SCANNUMBER: 1161 1 SCANNUMBER: 1161
2 PRECURSORTYPE: [M+H]+
3 IONMODE: Positive 2 IONMODE: Positive
4 SPECTRUMTYPE: Centroid 3 SPECTRUMTYPE: Centroid
5 FORMULA: C4H10NO3PS 4 FORMULA: C4H10NO3PS
6 INCHIKEY: YASYVMFAVPKPKE-SECBINFHSA-N 5 INCHIKEY: YASYVMFAVPKPKE-SECBINFHSA-N
7 INCHI: 6 INCHI:
8 SMILES: COP(=O)(N=C(O)C)SC 7 SMILES: COP(=O)(N=C(O)C)SC
9 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 8 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
10 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 9 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
11 INSTRUMENTTYPE: LC-ESI-Orbitrap
12 IONIZATION: ESI+ 10 IONIZATION: ESI+
13 LICENSE: CC BY-NC 11 LICENSE: CC BY-NC
14 COMMENT: 12 COMMENT:
15 COMPOUND_NAME: Acephate 13 COMPOUND_NAME: Acephate
16 RETENTION_TIME: 1.232997 14 RETENTION_TIME: 1.232997
17 PRECURSOR_MZ: 184.0194 15 PRECURSOR_MZ: 184.0194
18 COLLISION_ENERGY: 16 ADDUCT: [M+H]+
17 COLLISION_ENERGY:
18 INSTRUMENT_TYPE: LC-ESI-Orbitrap
19 NUM PEAKS: 16 19 NUM PEAKS: 16
20 90.09368 1128.0 20 90.09368 1128.0
21 93.11512 1241.0 21 93.11512 1241.0
22 95.10279 1118.0 22 95.10279 1118.0
23 101.31465 1152.0 23 101.31465 1152.0
33 142.99275 16419.0 33 142.99275 16419.0
34 147.94205 1750.0 34 147.94205 1750.0
35 173.5094 2353.0 35 173.5094 2353.0
36 36
37 SCANNUMBER: 2257 37 SCANNUMBER: 2257
38 PRECURSORTYPE: [M+H]+
39 IONMODE: Positive 38 IONMODE: Positive
40 SPECTRUMTYPE: Centroid 39 SPECTRUMTYPE: Centroid
41 FORMULA: C12H11NO2 40 FORMULA: C12H11NO2
42 INCHIKEY: CVXBEEMKQHEXEN-UHFFFAOYSA-N 41 INCHIKEY: CVXBEEMKQHEXEN-UHFFFAOYSA-N
43 INCHI: 42 INCHI:
44 SMILES: CN=C(Oc1cccc2c1cccc2)O 43 SMILES: CN=C(Oc1cccc2c1cccc2)O
45 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 44 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
46 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 45 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
47 INSTRUMENTTYPE: LC-ESI-Orbitrap
48 IONIZATION: ESI+ 46 IONIZATION: ESI+
49 LICENSE: CC BY-NC 47 LICENSE: CC BY-NC
50 COMMENT: 48 COMMENT:
51 COMPOUND_NAME: Carbaryl 49 COMPOUND_NAME: Carbaryl
52 RETENTION_TIME: 5.259445 50 RETENTION_TIME: 5.259445
53 PRECURSOR_MZ: 202.0863 51 PRECURSOR_MZ: 202.0863
54 COLLISION_ENERGY: 52 ADDUCT: [M+H]+
53 COLLISION_ENERGY:
54 INSTRUMENT_TYPE: LC-ESI-Orbitrap
55 NUM PEAKS: 1 55 NUM PEAKS: 1
56 145.06491 1326147.0 56 145.06491 1326147.0
57 57
58 SCANNUMBER: 1516 58 SCANNUMBER: 1516
59 PRECURSORTYPE: [M+H]+
60 IONMODE: Positive 59 IONMODE: Positive
61 SPECTRUMTYPE: Centroid 60 SPECTRUMTYPE: Centroid
62 FORMULA: C8H16NO5P 61 FORMULA: C8H16NO5P
63 INCHIKEY: VEENJGZXVHKXNB-UHFFFAOYSA-N 62 INCHIKEY: VEENJGZXVHKXNB-UHFFFAOYSA-N
64 INCHI: 63 INCHI:
65 SMILES: COP(=O)(OC(=CC(=O)N(C)C)C)OC 64 SMILES: COP(=O)(OC(=CC(=O)N(C)C)C)OC
66 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 65 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
67 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 66 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
68 INSTRUMENTTYPE: LC-ESI-Orbitrap
69 IONIZATION: ESI+ 67 IONIZATION: ESI+
70 LICENSE: CC BY-NC 68 LICENSE: CC BY-NC
71 COMMENT: 69 COMMENT:
72 COMPOUND_NAME: Dicrotophos 70 COMPOUND_NAME: Dicrotophos
73 RETENTION_TIME: 2.025499 71 RETENTION_TIME: 2.025499
74 PRECURSOR_MZ: 238.0844 72 PRECURSOR_MZ: 238.0844
75 COLLISION_ENERGY: 73 ADDUCT: [M+H]+
74 COLLISION_ENERGY:
75 INSTRUMENT_TYPE: LC-ESI-Orbitrap
76 NUM PEAKS: 5 76 NUM PEAKS: 5
77 112.074 102027.0 77 112.074 102027.0
78 112.07591 9070987.0 78 112.07591 9070987.0
79 127.01563 3230337.0 79 127.01563 3230337.0
80 193.02605 7897744.0 80 193.02605 7897744.0
81 238.08437 2973124.0 81 238.08437 2973124.0
82 82
83 SCANNUMBER: 1865 83 SCANNUMBER: 1865
84 PRECURSORTYPE: [M+H]+
85 IONMODE: Positive 84 IONMODE: Positive
86 SPECTRUMTYPE: Centroid 85 SPECTRUMTYPE: Centroid
87 FORMULA: C5H12NO3PS2 86 FORMULA: C5H12NO3PS2
88 INCHIKEY: MCWXGJITAZMZEV-UHFFFAOYSA-N 87 INCHIKEY: MCWXGJITAZMZEV-UHFFFAOYSA-N
89 INCHI: 88 INCHI:
90 SMILES: CN=C(CSP(=S)(OC)OC)O 89 SMILES: CN=C(CSP(=S)(OC)OC)O
91 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 90 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
92 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 91 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
93 INSTRUMENTTYPE: LC-ESI-Orbitrap
94 IONIZATION: ESI+ 92 IONIZATION: ESI+
95 LICENSE: CC BY-NC 93 LICENSE: CC BY-NC
96 COMMENT: 94 COMMENT:
97 COMPOUND_NAME: Dimethoate 95 COMPOUND_NAME: Dimethoate
98 RETENTION_TIME: 2.866696 96 RETENTION_TIME: 2.866696
99 PRECURSOR_MZ: 230.0072 97 PRECURSOR_MZ: 230.0072
100 COLLISION_ENERGY: 98 ADDUCT: [M+H]+
99 COLLISION_ENERGY:
100 INSTRUMENT_TYPE: LC-ESI-Orbitrap
101 NUM PEAKS: 8 101 NUM PEAKS: 8
102 88.0219 548446.0 102 88.0219 548446.0
103 124.98233 183861.0 103 124.98233 183861.0
104 142.99275 722053.0 104 142.99275 722053.0
105 156.95422 80792.0 105 156.95422 80792.0
107 197.98123 240915.0 107 197.98123 240915.0
108 198.96501 5415933.0 108 198.96501 5415933.0
109 230.00722 497851.0 109 230.00722 497851.0
110 110
111 SCANNUMBER: 3852 111 SCANNUMBER: 3852
112 PRECURSORTYPE: [M+H]+
113 IONMODE: Positive 112 IONMODE: Positive
114 SPECTRUMTYPE: Centroid 113 SPECTRUMTYPE: Centroid
115 FORMULA: C21H22NO4Cl 114 FORMULA: C21H22NO4Cl
116 INCHIKEY: QNBTYORWCCMPQP-UHFFFAOYSA-N 115 INCHIKEY: QNBTYORWCCMPQP-UHFFFAOYSA-N
117 INCHI: 116 INCHI:
118 SMILES: COc1cc(ccc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl 117 SMILES: COc1cc(ccc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl
119 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 118 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
120 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 119 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
121 INSTRUMENTTYPE: LC-ESI-Orbitrap
122 IONIZATION: ESI+ 120 IONIZATION: ESI+
123 LICENSE: CC BY-NC 121 LICENSE: CC BY-NC
124 COMMENT: 122 COMMENT:
125 COMPOUND_NAME: Dimethomorph 123 COMPOUND_NAME: Dimethomorph
126 RETENTION_TIME: 7.060486 124 RETENTION_TIME: 7.060486
127 PRECURSOR_MZ: 388.1316 125 PRECURSOR_MZ: 388.1316
128 COLLISION_ENERGY: 126 ADDUCT: [M+H]+
127 COLLISION_ENERGY:
128 INSTRUMENT_TYPE: LC-ESI-Orbitrap
129 NUM PEAKS: 22 129 NUM PEAKS: 22
130 114.05532 468862.0 130 114.05532 468862.0
131 125.01571 886745.0 131 125.01571 886745.0
132 138.99484 4138370.0 132 138.99484 4138370.0
133 155.0705 425164.0 133 155.0705 425164.0
149 273.06772 3866006.0 149 273.06772 3866006.0
150 286.03912 483547.0 150 286.03912 483547.0
151 301.06311 4060551.0 151 301.06311 4060551.0
152 152
153 SCANNUMBER: 1009 153 SCANNUMBER: 1009
154 PRECURSORTYPE: [M+H]+
155 IONMODE: Positive 154 IONMODE: Positive
156 SPECTRUMTYPE: Centroid 155 SPECTRUMTYPE: Centroid
157 FORMULA: C2H8NO2PS 156 FORMULA: C2H8NO2PS
158 INCHIKEY: NNKVPIKMPCQWCG-ZCFIWIBFSA-N 157 INCHIKEY: NNKVPIKMPCQWCG-ZCFIWIBFSA-N
159 INCHI: 158 INCHI:
160 SMILES: COP(=O)(SC)N 159 SMILES: COP(=O)(SC)N
161 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 160 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
162 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 161 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
163 INSTRUMENTTYPE: LC-ESI-Orbitrap
164 IONIZATION: ESI+ 162 IONIZATION: ESI+
165 LICENSE: CC BY-NC 163 LICENSE: CC BY-NC
166 COMMENT: 164 COMMENT:
167 COMPOUND_NAME: Methamidophos 165 COMPOUND_NAME: Methamidophos
168 RETENTION_TIME: 1.153307 166 RETENTION_TIME: 1.153307
169 PRECURSOR_MZ: 142.0089 167 PRECURSOR_MZ: 142.0089
170 COLLISION_ENERGY: 168 ADDUCT: [M+H]+
169 COLLISION_ENERGY:
170 INSTRUMENT_TYPE: LC-ESI-Orbitrap
171 NUM PEAKS: 4 171 NUM PEAKS: 4
172 98.00042 37721.0 172 98.00042 37721.0
173 109.98272 71172.0 173 109.98272 71172.0
174 112.01607 2867923.0 174 112.01607 2867923.0
175 127.99321 75837.0 175 127.99321 75837.0
176 176
177 SCANNUMBER: 1924 177 SCANNUMBER: 1924
178 PRECURSORTYPE: [M+H]+
179 IONMODE: Positive 178 IONMODE: Positive
180 SPECTRUMTYPE: Centroid 179 SPECTRUMTYPE: Centroid
181 FORMULA: C7H13O6P 180 FORMULA: C7H13O6P
182 INCHIKEY: GEPDYQSQVLXLEU-UHFFFAOYSA-N 181 INCHIKEY: GEPDYQSQVLXLEU-UHFFFAOYSA-N
183 INCHI: 182 INCHI:
184 SMILES: COC(=O)C=C(OP(=O)(OC)OC)C 183 SMILES: COC(=O)C=C(OP(=O)(OC)OC)C
185 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 184 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
186 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 185 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
187 INSTRUMENTTYPE: LC-ESI-Orbitrap
188 IONIZATION: ESI+ 186 IONIZATION: ESI+
189 LICENSE: CC BY-NC 187 LICENSE: CC BY-NC
190 COMMENT: 188 COMMENT:
191 COMPOUND_NAME: Mevinphos 189 COMPOUND_NAME: Mevinphos
192 RETENTION_TIME: 2.876307 190 RETENTION_TIME: 2.876307
193 PRECURSOR_MZ: 225.0525 191 PRECURSOR_MZ: 225.0525
194 COLLISION_ENERGY: 192 ADDUCT: [M+H]+
193 COLLISION_ENERGY:
194 INSTRUMENT_TYPE: LC-ESI-Orbitrap
195 NUM PEAKS: 4 195 NUM PEAKS: 4
196 99.04416 295529.0 196 99.04416 295529.0
197 127.01563 1960973.0 197 127.01563 1960973.0
198 193.02605 1150190.0 198 193.02605 1150190.0
199 225.05209 101872.0 199 225.05209 101872.0
200 200
201 SCANNUMBER: 1246 201 SCANNUMBER: 1246
202 PRECURSORTYPE: [M+H]+
203 IONMODE: Positive 202 IONMODE: Positive
204 SPECTRUMTYPE: Centroid 203 SPECTRUMTYPE: Centroid
205 FORMULA: C5H12NO4PS 204 FORMULA: C5H12NO4PS
206 INCHIKEY: PZXOQEXFMJCDPG-UHFFFAOYSA-N 205 INCHIKEY: PZXOQEXFMJCDPG-UHFFFAOYSA-N
207 INCHI: 206 INCHI:
208 SMILES: CN=C(CSP(=O)(OC)OC)O 207 SMILES: CN=C(CSP(=O)(OC)OC)O
209 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 208 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
210 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 209 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
211 INSTRUMENTTYPE: LC-ESI-Orbitrap
212 IONIZATION: ESI+ 210 IONIZATION: ESI+
213 LICENSE: CC BY-NC 211 LICENSE: CC BY-NC
214 COMMENT: 212 COMMENT:
215 COMPOUND_NAME: Omethoate 213 COMPOUND_NAME: Omethoate
216 RETENTION_TIME: 1.33423 214 RETENTION_TIME: 1.33423
217 PRECURSOR_MZ: 214.0303 215 PRECURSOR_MZ: 214.0303
218 COLLISION_ENERGY: 216 ADDUCT: [M+H]+
217 COLLISION_ENERGY:
218 INSTRUMENT_TYPE: LC-ESI-Orbitrap
219 NUM PEAKS: 5 219 NUM PEAKS: 5
220 104.01654 86844.0 220 104.01654 86844.0
221 124.98233 194375.0 221 124.98233 194375.0
222 127.01563 4696021.0 222 127.01563 4696021.0
223 128.97701 47970.0 223 128.97701 47970.0
224 142.99275 4310988.0 224 142.99275 4310988.0
225 225
226 SCANNUMBER: 5447 226 SCANNUMBER: 5447
227 PRECURSORTYPE: [M+H]+
228 IONMODE: Positive 227 IONMODE: Positive
229 SPECTRUMTYPE: Centroid 228 SPECTRUMTYPE: Centroid
230 FORMULA: C16H20O6P2S3 229 FORMULA: C16H20O6P2S3
231 INCHIKEY: WWJZWCUNLNYYAU-UHFFFAOYSA-N 230 INCHIKEY: WWJZWCUNLNYYAU-UHFFFAOYSA-N
232 INCHI: 231 INCHI:
233 SMILES: COP(=S)(Oc1ccc(cc1)Sc1ccc(cc1)OP(=S)(OC)OC)OC 232 SMILES: COP(=S)(Oc1ccc(cc1)Sc1ccc(cc1)OP(=S)(OC)OC)OC
234 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 233 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
235 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 234 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
236 INSTRUMENTTYPE: LC-ESI-Orbitrap
237 IONIZATION: ESI+ 235 IONIZATION: ESI+
238 LICENSE: CC BY-NC 236 LICENSE: CC BY-NC
239 COMMENT: 237 COMMENT:
240 COMPOUND_NAME: Temephos 238 COMPOUND_NAME: Temephos
241 RETENTION_TIME: 7.736881 239 RETENTION_TIME: 7.736881
242 PRECURSOR_MZ: 466.9978 240 PRECURSOR_MZ: 466.9978
243 COLLISION_ENERGY: 241 ADDUCT: [M+H]+
242 COLLISION_ENERGY:
243 INSTRUMENT_TYPE: LC-ESI-Orbitrap
244 NUM PEAKS: 44 244 NUM PEAKS: 44
245 124.98233 218400.0 245 124.98233 218400.0
246 125.00596 124192.0 246 125.00596 124192.0
247 127.01563 590561.0 247 127.01563 590561.0
248 139.02167 79978.0 248 139.02167 79978.0
286 356.03104 227870.0 286 356.03104 227870.0
287 357.03922 75786.0 287 357.03922 75786.0
288 387.9765 125383.0 288 387.9765 125383.0
289 289
290 SCANNUMBER: 1625 290 SCANNUMBER: 1625
291 PRECURSORTYPE: [M+H]+
292 IONMODE: Positive 291 IONMODE: Positive
293 SPECTRUMTYPE: Centroid 292 SPECTRUMTYPE: Centroid
294 FORMULA: C4H8O4Cl3P 293 FORMULA: C4H8O4Cl3P
295 INCHIKEY: NFACJZMKEDPNKN-VKHMYHEASA-N 294 INCHIKEY: NFACJZMKEDPNKN-VKHMYHEASA-N
296 INCHI: 295 INCHI:
297 SMILES: COP(=O)(C(C(Cl)(Cl)Cl)O)OC 296 SMILES: COP(=O)(C(C(Cl)(Cl)Cl)O)OC
298 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 297 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
299 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 298 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
300 INSTRUMENTTYPE: LC-ESI-Orbitrap
301 IONIZATION: ESI+ 299 IONIZATION: ESI+
302 LICENSE: CC BY-NC 300 LICENSE: CC BY-NC
303 COMMENT: 301 COMMENT:
304 COMPOUND_NAME: Trichlorfon 302 COMPOUND_NAME: Trichlorfon
305 RETENTION_TIME: 2.242985 303 RETENTION_TIME: 2.242985
306 PRECURSOR_MZ: 256.9308 304 PRECURSOR_MZ: 256.9308
307 COLLISION_ENERGY: 305 ADDUCT: [M+H]+
306 COLLISION_ENERGY:
307 INSTRUMENT_TYPE: LC-ESI-Orbitrap
308 NUM PEAKS: 4 308 NUM PEAKS: 4
309 93.01007 104589.0 309 93.01007 104589.0
310 97.00512 72293.0 310 97.00512 72293.0
311 112.99994 32292.0 311 112.99994 32292.0
312 127.01563 3150219.0 312 127.01563 3150219.0
313 313
314 SCANNUMBER: 2002 314 SCANNUMBER: 2002
315 PRECURSORTYPE: [M+H]+
316 IONMODE: Positive 315 IONMODE: Positive
317 SPECTRUMTYPE: Centroid 316 SPECTRUMTYPE: Centroid
318 FORMULA: C8H18NO4PS2 317 FORMULA: C8H18NO4PS2
319 INCHIKEY: LESVOLZBIFDZGS-ZETCQYMHSA-N 318 INCHIKEY: LESVOLZBIFDZGS-ZETCQYMHSA-N
320 INCHI: 319 INCHI:
321 SMILES: CN=C(C(SCCSP(=O)(OC)OC)C)O 320 SMILES: CN=C(C(SCCSP(=O)(OC)OC)C)O
322 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 321 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
323 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 322 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
324 INSTRUMENTTYPE: LC-ESI-Orbitrap
325 IONIZATION: ESI+ 323 IONIZATION: ESI+
326 LICENSE: CC BY-NC 324 LICENSE: CC BY-NC
327 COMMENT: 325 COMMENT:
328 COMPOUND_NAME: Vamidothion 326 COMPOUND_NAME: Vamidothion
329 RETENTION_TIME: 2.914602 327 RETENTION_TIME: 2.914602
330 PRECURSOR_MZ: 288.0491 328 PRECURSOR_MZ: 288.0491
331 COLLISION_ENERGY: 329 ADDUCT: [M+H]+
330 COLLISION_ENERGY:
331 INSTRUMENT_TYPE: LC-ESI-Orbitrap
332 NUM PEAKS: 3 332 NUM PEAKS: 3
333 118.03215 464396.0 333 118.03215 464396.0
334 146.06366 10321336.0 334 146.06366 10321336.0
335 288.04907 1456244.0 335 288.04907 1456244.0
336 336
337 SCANNUMBER: 1209 337 SCANNUMBER: 1209
338 PRECURSORTYPE: [M+H]+
339 IONMODE: Positive 338 IONMODE: Positive
340 SPECTRUMTYPE: Centroid 339 SPECTRUMTYPE: Centroid
341 FORMULA: C7H14N2O4S 340 FORMULA: C7H14N2O4S
342 INCHIKEY: YRRKLBAKDXSTNC-UHFFFAOYSA-N 341 INCHIKEY: YRRKLBAKDXSTNC-UHFFFAOYSA-N
343 INCHI: 342 INCHI:
344 SMILES: CN=C(ON=CC(S(=O)(=O)C)(C)C)O 343 SMILES: CN=C(ON=CC(S(=O)(=O)C)(C)C)O
345 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 344 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
346 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 345 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
347 INSTRUMENTTYPE: LC-ESI-Orbitrap
348 IONIZATION: ESI+ 346 IONIZATION: ESI+
349 LICENSE: CC BY-NC 347 LICENSE: CC BY-NC
350 COMMENT: 348 COMMENT:
351 COMPOUND_NAME: Aldicarb sulfone 349 COMPOUND_NAME: Aldicarb sulfone
352 RETENTION_TIME: 1.483623 350 RETENTION_TIME: 1.483623
353 PRECURSOR_MZ: 223.075 351 PRECURSOR_MZ: 223.075
354 COLLISION_ENERGY: 352 ADDUCT: [M+H]+
353 COLLISION_ENERGY:
354 INSTRUMENT_TYPE: LC-ESI-Orbitrap
355 NUM PEAKS: 9 355 NUM PEAKS: 9
356 86.06018 763151.0 356 86.06018 763151.0
357 106.03234 330646.0 357 106.03234 330646.0
358 120.04782 16624.0 358 120.04782 16624.0
359 148.03964 11931.0 359 148.03964 11931.0
362 208.9567 12192.0 362 208.9567 12192.0
363 223.06381 99297.0 363 223.06381 99297.0
364 223.07454 90546.0 364 223.07454 90546.0
365 365
366 SCANNUMBER: 4766 366 SCANNUMBER: 4766
367 PRECURSORTYPE: [M+H]+
368 IONMODE: Positive 367 IONMODE: Positive
369 SPECTRUMTYPE: Centroid 368 SPECTRUMTYPE: Centroid
370 FORMULA: C20H30N2O5S 369 FORMULA: C20H30N2O5S
371 INCHIKEY: FYZBOYWSHKHDMT-UHFFFAOYSA-N 370 INCHIKEY: FYZBOYWSHKHDMT-UHFFFAOYSA-N
372 INCHI: 371 INCHI:
373 SMILES: CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C 372 SMILES: CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C
374 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 373 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
375 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 374 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
376 INSTRUMENTTYPE: LC-ESI-Orbitrap
377 IONIZATION: ESI+ 375 IONIZATION: ESI+
378 LICENSE: CC BY-NC 376 LICENSE: CC BY-NC
379 COMMENT: 377 COMMENT:
380 COMPOUND_NAME: Benfuracarb 378 COMPOUND_NAME: Benfuracarb
381 RETENTION_TIME: 7.163228 379 RETENTION_TIME: 7.163228
382 PRECURSOR_MZ: 411.1956 380 PRECURSOR_MZ: 411.1956
383 COLLISION_ENERGY: 381 ADDUCT: [M+H]+
382 COLLISION_ENERGY:
383 INSTRUMENT_TYPE: LC-ESI-Orbitrap
384 NUM PEAKS: 22 384 NUM PEAKS: 22
385 90.03748 30498.0 385 90.03748 30498.0
386 102.00096 69259.0 386 102.00096 69259.0
387 109.02874 31641.0 387 109.02874 31641.0
388 111.08049 29319.0 388 111.08049 29319.0
404 171.0114 23364.0 404 171.0114 23364.0
405 177.03709 172641.0 405 177.03709 172641.0
406 195.04765 2265269.0 406 195.04765 2265269.0
407 407
408 SCANNUMBER: 1209 408 SCANNUMBER: 1209
409 PRECURSORTYPE: [M+H]+
410 IONMODE: Positive 409 IONMODE: Positive
411 SPECTRUMTYPE: Centroid 410 SPECTRUMTYPE: Centroid
412 FORMULA: C7H14N2O4S 411 FORMULA: C7H14N2O4S
413 INCHIKEY: CTJBHIROCMPUKL-HOITVRGQSA-N 412 INCHIKEY: CTJBHIROCMPUKL-HOITVRGQSA-N
414 INCHI: 413 INCHI:
415 SMILES: CN=C(ON=C(C(S(=O)(=O)C)C)C)O 414 SMILES: CN=C(ON=C(C(S(=O)(=O)C)C)C)O
416 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 415 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
417 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 416 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
418 INSTRUMENTTYPE: LC-ESI-Orbitrap
419 IONIZATION: ESI+ 417 IONIZATION: ESI+
420 LICENSE: CC BY-NC 418 LICENSE: CC BY-NC
421 COMMENT: 419 COMMENT:
422 COMPOUND_NAME: Butoxycarboxim 420 COMPOUND_NAME: Butoxycarboxim
423 RETENTION_TIME: 1.483623 421 RETENTION_TIME: 1.483623
424 PRECURSOR_MZ: 223.075 422 PRECURSOR_MZ: 223.075
425 COLLISION_ENERGY: 423 ADDUCT: [M+H]+
424 COLLISION_ENERGY:
425 INSTRUMENT_TYPE: LC-ESI-Orbitrap
426 NUM PEAKS: 9 426 NUM PEAKS: 9
427 86.06018 763151.0 427 86.06018 763151.0
428 106.03234 330646.0 428 106.03234 330646.0
429 120.04782 16624.0 429 120.04782 16624.0
430 148.03964 11931.0 430 148.03964 11931.0
433 208.9567 12192.0 433 208.9567 12192.0
434 223.06381 99297.0 434 223.06381 99297.0
435 223.07454 90546.0 435 223.07454 90546.0
436 436
437 SCANNUMBER: 4928 437 SCANNUMBER: 4928
438 PRECURSORTYPE: [M+H]+
439 IONMODE: Positive 438 IONMODE: Positive
440 SPECTRUMTYPE: Centroid 439 SPECTRUMTYPE: Centroid
441 FORMULA: C18H26N2O5S 440 FORMULA: C18H26N2O5S
442 INCHIKEY: HAWJXYBZNNRMNO-UHFFFAOYSA-N 441 INCHIKEY: HAWJXYBZNNRMNO-UHFFFAOYSA-N
443 INCHI: 442 INCHI:
444 SMILES: CCCCOC(=O)N(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)C 443 SMILES: CCCCOC(=O)N(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)C
445 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 444 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
446 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 445 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
447 INSTRUMENTTYPE: LC-ESI-Orbitrap
448 IONIZATION: ESI+ 446 IONIZATION: ESI+
449 LICENSE: CC BY-NC 447 LICENSE: CC BY-NC
450 COMMENT: 448 COMMENT:
451 COMPOUND_NAME: Furathiocarb 449 COMPOUND_NAME: Furathiocarb
452 RETENTION_TIME: 7.19165 450 RETENTION_TIME: 7.19165
453 PRECURSOR_MZ: 383.1642 451 PRECURSOR_MZ: 383.1642
454 COLLISION_ENERGY: 452 ADDUCT: [M+H]+
453 COLLISION_ENERGY:
454 INSTRUMENT_TYPE: LC-ESI-Orbitrap
455 NUM PEAKS: 49 455 NUM PEAKS: 49
456 87.02665 170322.0 456 87.02665 170322.0
457 90.03748 426298.0 457 90.03748 426298.0
458 91.05442 232061.0 458 91.05442 232061.0
459 95.04954 175219.0 459 95.04954 175219.0
502 177.03709 3978125.0 502 177.03709 3978125.0
503 180.02414 213051.0 503 180.02414 213051.0
504 195.04765 11849349.0 504 195.04765 11849349.0
505 505
506 SCANNUMBER: 3333 506 SCANNUMBER: 3333
507 PRECURSORTYPE: [M+H]+
508 IONMODE: Positive 507 IONMODE: Positive
509 SPECTRUMTYPE: Centroid 508 SPECTRUMTYPE: Centroid
510 FORMULA: C10H11N3OS 509 FORMULA: C10H11N3OS
511 INCHIKEY: RRVIAQKBTUQODI-UHFFFAOYSA-N 510 INCHIKEY: RRVIAQKBTUQODI-UHFFFAOYSA-N
512 INCHI: 511 INCHI:
513 SMILES: CN=C(N(c1nc2c(s1)cccc2)C)O 512 SMILES: CN=C(N(c1nc2c(s1)cccc2)C)O
514 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 513 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
515 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 514 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
516 INSTRUMENTTYPE: LC-ESI-Orbitrap
517 IONIZATION: ESI+ 515 IONIZATION: ESI+
518 LICENSE: CC BY-NC 516 LICENSE: CC BY-NC
519 COMMENT: 517 COMMENT:
520 COMPOUND_NAME: Methabenzthiazuron 518 COMPOUND_NAME: Methabenzthiazuron
521 RETENTION_TIME: 6.711947 519 RETENTION_TIME: 6.711947
522 PRECURSOR_MZ: 222.0702 520 PRECURSOR_MZ: 222.0702
523 COLLISION_ENERGY: 521 ADDUCT: [M+H]+
522 COLLISION_ENERGY:
523 INSTRUMENT_TYPE: LC-ESI-Orbitrap
524 NUM PEAKS: 8 524 NUM PEAKS: 8
525 92.0498 456372.0 525 92.0498 456372.0
526 109.01102 367319.0 526 109.01102 367319.0
527 123.01394 375280.0 527 123.01394 375280.0
528 124.02193 2568680.0 528 124.02193 2568680.0
530 150.02492 9399192.0 530 150.02492 9399192.0
531 163.03316 152108.0 531 163.03316 152108.0
532 165.04836 9598566.0 532 165.04836 9598566.0
533 533
534 SCANNUMBER: 1984 534 SCANNUMBER: 1984
535 PRECURSORTYPE: [M+H]+
536 IONMODE: Positive 535 IONMODE: Positive
537 SPECTRUMTYPE: Centroid 536 SPECTRUMTYPE: Centroid
538 FORMULA: C9H16N4OS 537 FORMULA: C9H16N4OS
539 INCHIKEY: HBPDKDSFLXWOAE-UHFFFAOYSA-N 538 INCHIKEY: HBPDKDSFLXWOAE-UHFFFAOYSA-N
540 INCHI: 539 INCHI:
541 SMILES: CN=C(N(c1nnc(s1)C(C)(C)C)C)O 540 SMILES: CN=C(N(c1nnc(s1)C(C)(C)C)C)O
542 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 541 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
543 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 542 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
544 INSTRUMENTTYPE: LC-ESI-Orbitrap
545 IONIZATION: ESI+ 543 IONIZATION: ESI+
546 LICENSE: CC BY-NC 544 LICENSE: CC BY-NC
547 COMMENT: 545 COMMENT:
548 COMPOUND_NAME: Tebuthiuron 546 COMPOUND_NAME: Tebuthiuron
549 RETENTION_TIME: 4.241355 547 RETENTION_TIME: 4.241355
550 PRECURSOR_MZ: 229.1121 548 PRECURSOR_MZ: 229.1121
551 COLLISION_ENERGY: 549 ADDUCT: [M+H]+
550 COLLISION_ENERGY:
551 INSTRUMENT_TYPE: LC-ESI-Orbitrap
552 NUM PEAKS: 9 552 NUM PEAKS: 9
553 88.0219 230604.0 553 88.0219 230604.0
554 89.01719 2030070.0 554 89.01719 2030070.0
555 101.04233 435137.0 555 101.04233 435137.0
556 116.0279 20609154.0 556 116.0279 20609154.0
559 156.05936 1133851.0 559 156.05936 1133851.0
560 157.06721 6762498.0 560 157.06721 6762498.0
561 172.09081 12592908.0 561 172.09081 12592908.0
562 562
563 SCANNUMBER: 2185 563 SCANNUMBER: 2185
564 PRECURSORTYPE: [M+H]+
565 IONMODE: Positive 564 IONMODE: Positive
566 SPECTRUMTYPE: Centroid 565 SPECTRUMTYPE: Centroid
567 FORMULA: C9H8N4OS 566 FORMULA: C9H8N4OS
568 INCHIKEY: HFCYZXMHUIHAQI-UHFFFAOYSA-N 567 INCHIKEY: HFCYZXMHUIHAQI-UHFFFAOYSA-N
569 INCHI: 568 INCHI:
570 SMILES: OC(=Nc1ccccc1)Nc1cnns1 569 SMILES: OC(=Nc1ccccc1)Nc1cnns1
571 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 570 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
572 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 571 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
573 INSTRUMENTTYPE: LC-ESI-Orbitrap
574 IONIZATION: ESI+ 572 IONIZATION: ESI+
575 LICENSE: CC BY-NC 573 LICENSE: CC BY-NC
576 COMMENT: 574 COMMENT:
577 COMPOUND_NAME: Thidiazuron 575 COMPOUND_NAME: Thidiazuron
578 RETENTION_TIME: 4.909884 576 RETENTION_TIME: 4.909884
579 PRECURSOR_MZ: 221.0497 577 PRECURSOR_MZ: 221.0497
580 COLLISION_ENERGY: 578 ADDUCT: [M+H]+
579 COLLISION_ENERGY:
580 INSTRUMENT_TYPE: LC-ESI-Orbitrap
581 NUM PEAKS: 7 581 NUM PEAKS: 7
582 92.04957 154355.0 582 92.04957 154355.0
583 94.0652 188105.0 583 94.0652 188105.0
584 95.04929 172328.0 584 95.04929 172328.0
585 102.0123 2547264.0 585 102.0123 2547264.0
586 105.04477 127605.0 586 105.04477 127605.0
587 120.04464 76344.0 587 120.04464 76344.0
588 127.99126 615346.0 588 127.99126 615346.0
589 589
590 SCANNUMBER: 2307 590 SCANNUMBER: 2307
591 PRECURSORTYPE: [M+H]+
592 IONMODE: Positive 591 IONMODE: Positive
593 SPECTRUMTYPE: Centroid 592 SPECTRUMTYPE: Centroid
594 FORMULA: C11H15NO2S 593 FORMULA: C11H15NO2S
595 INCHIKEY: HEZNVIYQEUHLNI-UHFFFAOYSA-N 594 INCHIKEY: HEZNVIYQEUHLNI-UHFFFAOYSA-N
596 INCHI: 595 INCHI:
597 SMILES: CCSCc1ccccc1OC(=NC)O 596 SMILES: CCSCc1ccccc1OC(=NC)O
598 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 597 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
599 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 598 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
600 INSTRUMENTTYPE: LC-ESI-Orbitrap
601 IONIZATION: ESI+ 599 IONIZATION: ESI+
602 LICENSE: CC BY-NC 600 LICENSE: CC BY-NC
603 COMMENT: 601 COMMENT:
604 COMPOUND_NAME: Ethiofencarb 602 COMPOUND_NAME: Ethiofencarb
605 RETENTION_TIME: 5.074083 603 RETENTION_TIME: 5.074083
606 PRECURSOR_MZ: 226.09 604 PRECURSOR_MZ: 226.09
607 COLLISION_ENERGY: 605 ADDUCT: [M+H]+
606 COLLISION_ENERGY:
607 INSTRUMENT_TYPE: LC-ESI-Orbitrap
608 NUM PEAKS: 6 608 NUM PEAKS: 6
609 95.04929 42106.0 609 95.04929 42106.0
610 105.04477 32913.0 610 105.04477 32913.0
611 107.04936 243964.0 611 107.04936 243964.0
612 120.08101 4266.0 612 120.08101 4266.0
613 134.0966 5759.0 613 134.0966 5759.0
614 147.93529 2678.0 614 147.93529 2678.0
615 615
616 SCANNUMBER: 2724 616 SCANNUMBER: 2724
617 PRECURSORTYPE: [M+H]+
618 IONMODE: Positive 617 IONMODE: Positive
619 SPECTRUMTYPE: Centroid 618 SPECTRUMTYPE: Centroid
620 FORMULA: C11H15NO2S 619 FORMULA: C11H15NO2S
621 INCHIKEY: YFBPRJGDJKVWAH-UHFFFAOYSA-N 620 INCHIKEY: YFBPRJGDJKVWAH-UHFFFAOYSA-N
622 INCHI: 621 INCHI:
623 SMILES: CN=C(Oc1cc(C)c(c(c1)C)SC)O 622 SMILES: CN=C(Oc1cc(C)c(c(c1)C)SC)O
624 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 623 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
625 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 624 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
626 INSTRUMENTTYPE: LC-ESI-Orbitrap
627 IONIZATION: ESI+ 625 IONIZATION: ESI+
628 LICENSE: CC BY-NC 626 LICENSE: CC BY-NC
629 COMMENT: 627 COMMENT:
630 COMPOUND_NAME: Methiocarb 628 COMPOUND_NAME: Methiocarb
631 RETENTION_TIME: 6.352629 629 RETENTION_TIME: 6.352629
632 PRECURSOR_MZ: 226.0899 630 PRECURSOR_MZ: 226.0899
633 COLLISION_ENERGY: 631 ADDUCT: [M+H]+
632 COLLISION_ENERGY:
633 INSTRUMENT_TYPE: LC-ESI-Orbitrap
634 NUM PEAKS: 4 634 NUM PEAKS: 4
635 121.06488 799606.0 635 121.06488 799606.0
636 122.07284 96691.0 636 122.07284 96691.0
637 169.06853 4882474.0 637 169.06853 4882474.0
638 226.08951 145633.0 638 226.08951 145633.0
639 639
640 SCANNUMBER: 1753 640 SCANNUMBER: 1753
641 PRECURSORTYPE: [M+H]+
642 IONMODE: Positive 641 IONMODE: Positive
643 SPECTRUMTYPE: Centroid 642 SPECTRUMTYPE: Centroid
644 FORMULA: C12H15NO3 643 FORMULA: C12H15NO3
645 INCHIKEY: DUEPRVBVGDRKAG-UHFFFAOYSA-N 644 INCHIKEY: DUEPRVBVGDRKAG-UHFFFAOYSA-N
646 INCHI: 645 INCHI:
647 SMILES: CN=C(Oc1cccc2c1OC(C2)(C)C)O 646 SMILES: CN=C(Oc1cccc2c1OC(C2)(C)C)O
648 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 647 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
649 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 648 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
650 INSTRUMENTTYPE: LC-ESI-Orbitrap
651 IONIZATION: ESI+ 649 IONIZATION: ESI+
652 LICENSE: CC BY-NC 650 LICENSE: CC BY-NC
653 COMMENT: 651 COMMENT:
654 COMPOUND_NAME: Carbofuran 652 COMPOUND_NAME: Carbofuran
655 RETENTION_TIME: 4.14677 653 RETENTION_TIME: 4.14677
656 PRECURSOR_MZ: 222.1128 654 PRECURSOR_MZ: 222.1128
657 COLLISION_ENERGY: 655 ADDUCT: [M+H]+
656 COLLISION_ENERGY:
657 INSTRUMENT_TYPE: LC-ESI-Orbitrap
658 NUM PEAKS: 10 658 NUM PEAKS: 10
659 91.05442 804154.0 659 91.05442 804154.0
660 95.04929 737907.0 660 95.04929 737907.0
661 105.03379 225770.0 661 105.03379 225770.0
662 105.04506 153330.0 662 105.04506 153330.0
666 123.04434 10121862.0 666 123.04434 10121862.0
667 137.05997 448261.0 667 137.05997 448261.0
668 147.08089 104307.0 668 147.08089 104307.0
669 669
670 SCANNUMBER: 4866 670 SCANNUMBER: 4866
671 PRECURSORTYPE: [M+H]+
672 IONMODE: Positive 671 IONMODE: Positive
673 SPECTRUMTYPE: Centroid 672 SPECTRUMTYPE: Centroid
674 FORMULA: C15H15N2O2Cl 673 FORMULA: C15H15N2O2Cl
675 INCHIKEY: IVUXTESCPZUGJC-UHFFFAOYSA-N 674 INCHIKEY: IVUXTESCPZUGJC-UHFFFAOYSA-N
676 INCHI: 675 INCHI:
677 SMILES: Clc1ccc(cc1)Oc1ccc(cc1)NC(=O)N(C)C 676 SMILES: Clc1ccc(cc1)Oc1ccc(cc1)NC(=O)N(C)C
678 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 677 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
679 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 678 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
680 INSTRUMENTTYPE: LC-ESI-Orbitrap
681 IONIZATION: ESI+ 679 IONIZATION: ESI+
682 LICENSE: CC BY-NC 680 LICENSE: CC BY-NC
683 COMMENT: 681 COMMENT:
684 COMPOUND_NAME: Chloroxuron 682 COMPOUND_NAME: Chloroxuron
685 RETENTION_TIME: 6.824893 683 RETENTION_TIME: 6.824893
686 PRECURSOR_MZ: 291.09 684 PRECURSOR_MZ: 291.09
687 COLLISION_ENERGY: 685 ADDUCT: [M+H]+
686 COLLISION_ENERGY:
687 INSTRUMENT_TYPE: LC-ESI-Orbitrap
688 NUM PEAKS: 34 688 NUM PEAKS: 34
689 94.04169 27706.0 689 94.04169 27706.0
690 98.99973 58512.0 690 98.99973 58512.0
691 106.06546 243512.0 691 106.06546 243512.0
692 118.06519 562204.0 692 118.06519 562204.0
720 233.15379 75598.0 720 233.15379 75598.0
721 246.03224 40845.0 721 246.03224 40845.0
722 249.18484 96150.0 722 249.18484 96150.0
723 723
724 SCANNUMBER: 2586 724 SCANNUMBER: 2586
725 PRECURSORTYPE: [M+H]+
726 IONMODE: Positive 725 IONMODE: Positive
727 SPECTRUMTYPE: Centroid 726 SPECTRUMTYPE: Centroid
728 FORMULA: C10H13N2OCl 727 FORMULA: C10H13N2OCl
729 INCHIKEY: JXCGFZXSOMJFOA-UHFFFAOYSA-N 728 INCHIKEY: JXCGFZXSOMJFOA-UHFFFAOYSA-N
730 INCHI: 729 INCHI:
731 SMILES: OC(=Nc1ccc(c(c1)Cl)C)N(C)C 730 SMILES: OC(=Nc1ccc(c(c1)Cl)C)N(C)C
732 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 731 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
733 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 732 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
734 INSTRUMENTTYPE: LC-ESI-Orbitrap
735 IONIZATION: ESI+ 733 IONIZATION: ESI+
736 LICENSE: CC BY-NC 734 LICENSE: CC BY-NC
737 COMMENT: 735 COMMENT:
738 COMPOUND_NAME: Chlortoluron 736 COMPOUND_NAME: Chlortoluron
739 RETENTION_TIME: 5.193264 737 RETENTION_TIME: 5.193264
740 PRECURSOR_MZ: 213.0795 738 PRECURSOR_MZ: 213.0795
741 COLLISION_ENERGY: 739 ADDUCT: [M+H]+
740 COLLISION_ENERGY:
741 INSTRUMENT_TYPE: LC-ESI-Orbitrap
742 NUM PEAKS: 14 742 NUM PEAKS: 14
743 89.03883 57032.0 743 89.03883 57032.0
744 95.04929 125786.0 744 95.04929 125786.0
745 96.04461 17062.0 745 96.04461 17062.0
746 98.99973 31149.0 746 98.99973 31149.0
754 140.02612 1662428.0 754 140.02612 1662428.0
755 153.02165 91587.0 755 153.02165 91587.0
756 168.02145 83345.0 756 168.02145 83345.0
757 757
758 SCANNUMBER: 2273 758 SCANNUMBER: 2273
759 PRECURSORTYPE: [M+H]+
760 IONMODE: Positive 759 IONMODE: Positive
761 SPECTRUMTYPE: Centroid 760 SPECTRUMTYPE: Centroid
762 FORMULA: C11H22N2O 761 FORMULA: C11H22N2O
763 INCHIKEY: DQZCVNGCTZLGAQ-UHFFFAOYSA-N 762 INCHIKEY: DQZCVNGCTZLGAQ-UHFFFAOYSA-N
764 INCHI: 763 INCHI:
765 SMILES: CN(C(=NC1CCCCCCC1)O)C 764 SMILES: CN(C(=NC1CCCCCCC1)O)C
766 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 765 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
767 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 766 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
768 INSTRUMENTTYPE: LC-ESI-Orbitrap
769 IONIZATION: ESI+ 767 IONIZATION: ESI+
770 LICENSE: CC BY-NC 768 LICENSE: CC BY-NC
771 COMMENT: 769 COMMENT:
772 COMPOUND_NAME: Cycluron 770 COMPOUND_NAME: Cycluron
773 RETENTION_TIME: 5.00998 771 RETENTION_TIME: 5.00998
774 PRECURSOR_MZ: 199.1809 772 PRECURSOR_MZ: 199.1809
775 COLLISION_ENERGY: 773 ADDUCT: [M+H]+
774 COLLISION_ENERGY:
775 INSTRUMENT_TYPE: LC-ESI-Orbitrap
776 NUM PEAKS: 4 776 NUM PEAKS: 4
777 89.07108 1303776.0 777 89.07108 1303776.0
778 111.11694 18709.0 778 111.11694 18709.0
779 147.92079 14411.0 779 147.92079 14411.0
780 147.93768 15209.0 780 147.93768 15209.0
781 781
782 SCANNUMBER: 3582 782 SCANNUMBER: 3582
783 PRECURSORTYPE: [M+H]+
784 IONMODE: Positive 783 IONMODE: Positive
785 SPECTRUMTYPE: Centroid 784 SPECTRUMTYPE: Centroid
786 FORMULA: C14H21NO4 785 FORMULA: C14H21NO4
787 INCHIKEY: LNJNFVJKDJYTEU-UHFFFAOYSA-N 786 INCHIKEY: LNJNFVJKDJYTEU-UHFFFAOYSA-N
788 INCHI: 787 INCHI:
789 SMILES: CCOc1cc(ccc1OCC)N=C(OC(C)C)O 788 SMILES: CCOc1cc(ccc1OCC)N=C(OC(C)C)O
790 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 789 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
791 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 790 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
792 INSTRUMENTTYPE: LC-ESI-Orbitrap
793 IONIZATION: ESI+ 791 IONIZATION: ESI+
794 LICENSE: CC BY-NC 792 LICENSE: CC BY-NC
795 COMMENT: 793 COMMENT:
796 COMPOUND_NAME: Diethofencarb 794 COMPOUND_NAME: Diethofencarb
797 RETENTION_TIME: 6.124817 795 RETENTION_TIME: 6.124817
798 PRECURSOR_MZ: 268.1547 796 PRECURSOR_MZ: 268.1547
799 COLLISION_ENERGY: 797 ADDUCT: [M+H]+
798 COLLISION_ENERGY:
799 INSTRUMENT_TYPE: LC-ESI-Orbitrap
800 NUM PEAKS: 7 800 NUM PEAKS: 7
801 152.07103 98482.0 801 152.07103 98482.0
802 180.06563 117586.0 802 180.06563 117586.0
803 180.10194 441784.0 803 180.10194 441784.0
804 198.0762 507187.0 804 198.0762 507187.0
805 208.09682 172166.0 805 208.09682 172166.0
806 226.10776 6612320.0 806 226.10776 6612320.0
807 268.15411 115526.0 807 268.15411 115526.0
808 808
809 SCANNUMBER: 5619 809 SCANNUMBER: 5619
810 PRECURSORTYPE: [M+H]+
811 IONMODE: Positive 810 IONMODE: Positive
812 SPECTRUMTYPE: Centroid 811 SPECTRUMTYPE: Centroid
813 FORMULA: C14H9N2O2ClF2 812 FORMULA: C14H9N2O2ClF2
814 INCHIKEY: QQQYTWIFVNKMRW-UHFFFAOYSA-N 813 INCHIKEY: QQQYTWIFVNKMRW-UHFFFAOYSA-N
815 INCHI: 814 INCHI:
816 SMILES: O=C(Nc1ccc(cc1)Cl)N=C(c1c(F)cccc1F)O 815 SMILES: O=C(Nc1ccc(cc1)Cl)N=C(c1c(F)cccc1F)O
817 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 816 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
818 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 817 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
819 INSTRUMENTTYPE: LC-ESI-Orbitrap
820 IONIZATION: ESI+ 818 IONIZATION: ESI+
821 LICENSE: CC BY-NC 819 LICENSE: CC BY-NC
822 COMMENT: 820 COMMENT:
823 COMPOUND_NAME: Diflubenzuron 821 COMPOUND_NAME: Diflubenzuron
824 RETENTION_TIME: 6.959446 822 RETENTION_TIME: 6.959446
825 PRECURSOR_MZ: 311.0396 823 PRECURSOR_MZ: 311.0396
826 COLLISION_ENERGY: 824 ADDUCT: [M+H]+
825 COLLISION_ENERGY:
826 INSTRUMENT_TYPE: LC-ESI-Orbitrap
827 NUM PEAKS: 3 827 NUM PEAKS: 3
828 141.01498 340685.0 828 141.01498 340685.0
829 158.04167 9035608.0 829 158.04167 9035608.0
830 311.03952 2283440.0 830 311.03952 2283440.0
831 831
832 SCANNUMBER: 3192 832 SCANNUMBER: 3192
833 PRECURSORTYPE: [M+H]+
834 IONMODE: Positive 833 IONMODE: Positive
835 SPECTRUMTYPE: Centroid 834 SPECTRUMTYPE: Centroid
836 FORMULA: C9H10N2OCl2 835 FORMULA: C9H10N2OCl2
837 INCHIKEY: XMTQQYYKAHVGBJ-UHFFFAOYSA-N 836 INCHIKEY: XMTQQYYKAHVGBJ-UHFFFAOYSA-N
838 INCHI: 837 INCHI:
839 SMILES: OC(=Nc1ccc(c(c1)Cl)Cl)N(C)C 838 SMILES: OC(=Nc1ccc(c(c1)Cl)Cl)N(C)C
840 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 839 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
841 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 840 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
842 INSTRUMENTTYPE: LC-ESI-Orbitrap
843 IONIZATION: ESI+ 841 IONIZATION: ESI+
844 LICENSE: CC BY-NC 842 LICENSE: CC BY-NC
845 COMMENT: 843 COMMENT:
846 COMPOUND_NAME: Diuron 844 COMPOUND_NAME: Diuron
847 RETENTION_TIME: 5.711479 845 RETENTION_TIME: 5.711479
848 PRECURSOR_MZ: 233.0248 846 PRECURSOR_MZ: 233.0248
849 COLLISION_ENERGY: 847 ADDUCT: [M+H]+
848 COLLISION_ENERGY:
849 INSTRUMENT_TYPE: LC-ESI-Orbitrap
850 NUM PEAKS: 8 850 NUM PEAKS: 8
851 123.99487 30141.0 851 123.99487 30141.0
852 125.00295 82231.0 852 125.00295 82231.0
853 132.96072 233186.0 853 132.96072 233186.0
854 151.03258 25890.0 854 151.03258 25890.0
856 159.97182 940217.0 856 159.97182 940217.0
857 172.96721 73012.0 857 172.96721 73012.0
858 187.96654 38425.0 858 187.96654 38425.0
859 859
860 SCANNUMBER: 1320 860 SCANNUMBER: 1320
861 PRECURSORTYPE: [M+H]+
862 IONMODE: Positive 861 IONMODE: Positive
863 SPECTRUMTYPE: Centroid 862 SPECTRUMTYPE: Centroid
864 FORMULA: C11H13NO4 863 FORMULA: C11H13NO4
865 INCHIKEY: SDKQRNRRDYRQKY-UHFFFAOYSA-N 864 INCHIKEY: SDKQRNRRDYRQKY-UHFFFAOYSA-N
866 INCHI: 865 INCHI:
867 SMILES: CN=C(Oc1ccccc1C1OCCO1)O 866 SMILES: CN=C(Oc1ccccc1C1OCCO1)O
868 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 867 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
869 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 868 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
870 INSTRUMENTTYPE: LC-ESI-Orbitrap
871 IONIZATION: ESI+ 869 IONIZATION: ESI+
872 LICENSE: CC BY-NC 870 LICENSE: CC BY-NC
873 COMMENT: 871 COMMENT:
874 COMPOUND_NAME: Dioxacarb 872 COMPOUND_NAME: Dioxacarb
875 RETENTION_TIME: 2.808769 873 RETENTION_TIME: 2.808769
876 PRECURSOR_MZ: 224.092 874 PRECURSOR_MZ: 224.092
877 COLLISION_ENERGY: 875 ADDUCT: [M+H]+
876 COLLISION_ENERGY:
877 INSTRUMENT_TYPE: LC-ESI-Orbitrap
878 NUM PEAKS: 6 878 NUM PEAKS: 6
879 95.04929 26554.0 879 95.04929 26554.0
880 123.04434 805609.0 880 123.04434 805609.0
881 162.05486 264649.0 881 162.05486 264649.0
882 167.07042 1519113.0 882 167.07042 1519113.0
883 208.95668 21966.0 883 208.95668 21966.0
884 224.12801 18664.0 884 224.12801 18664.0
885 885
886 SCANNUMBER: 1667 886 SCANNUMBER: 1667
887 PRECURSORTYPE: [M+H]+
888 IONMODE: Positive 887 IONMODE: Positive
889 SPECTRUMTYPE: Centroid 888 SPECTRUMTYPE: Centroid
890 FORMULA: C11H13NO4 889 FORMULA: C11H13NO4
891 INCHIKEY: XEGGRYVFLWGFHI-UHFFFAOYSA-N 890 INCHIKEY: XEGGRYVFLWGFHI-UHFFFAOYSA-N
892 INCHI: 891 INCHI:
893 SMILES: CN=C(Oc1cccc2c1OC(O2)(C)C)O 892 SMILES: CN=C(Oc1cccc2c1OC(O2)(C)C)O
894 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 893 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
895 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 894 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
896 INSTRUMENTTYPE: LC-ESI-Orbitrap
897 IONIZATION: ESI+ 895 IONIZATION: ESI+
898 LICENSE: CC BY-NC 896 LICENSE: CC BY-NC
899 COMMENT: 897 COMMENT:
900 COMPOUND_NAME: Bendiocarb 898 COMPOUND_NAME: Bendiocarb
901 RETENTION_TIME: 4.036841 899 RETENTION_TIME: 4.036841
902 PRECURSOR_MZ: 224.092 900 PRECURSOR_MZ: 224.092
903 COLLISION_ENERGY: 901 ADDUCT: [M+H]+
902 COLLISION_ENERGY:
903 INSTRUMENT_TYPE: LC-ESI-Orbitrap
904 NUM PEAKS: 4 904 NUM PEAKS: 4
905 109.02843 576717.0 905 109.02843 576717.0
906 167.07042 2075283.0 906 167.07042 2075283.0
907 224.092 50305.0 907 224.092 50305.0
908 224.12801 22894.0 908 224.12801 22894.0
909 909
910 SCANNUMBER: 2735 910 SCANNUMBER: 2735
911 PRECURSORTYPE: [M+H]+
912 IONMODE: Positive 911 IONMODE: Positive
913 SPECTRUMTYPE: Centroid 912 SPECTRUMTYPE: Centroid
914 FORMULA: C12H17NO2 913 FORMULA: C12H17NO2
915 INCHIKEY: DIRFUJHNVNOBMY-VIFPVBQESA-N 914 INCHIKEY: DIRFUJHNVNOBMY-VIFPVBQESA-N
916 INCHI: 915 INCHI:
917 SMILES: CCC(c1ccccc1OC(=NC)O)C 916 SMILES: CCC(c1ccccc1OC(=NC)O)C
918 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 917 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
919 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 918 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
920 INSTRUMENTTYPE: LC-ESI-Orbitrap
921 IONIZATION: ESI+ 919 IONIZATION: ESI+
922 LICENSE: CC BY-NC 920 LICENSE: CC BY-NC
923 COMMENT: 921 COMMENT:
924 COMPOUND_NAME: Fenobucarb 922 COMPOUND_NAME: Fenobucarb
925 RETENTION_TIME: 5.279047 923 RETENTION_TIME: 5.279047
926 PRECURSOR_MZ: 208.1339 924 PRECURSOR_MZ: 208.1339
927 COLLISION_ENERGY: 925 ADDUCT: [M+H]+
926 COLLISION_ENERGY:
927 INSTRUMENT_TYPE: LC-ESI-Orbitrap
928 NUM PEAKS: 5 928 NUM PEAKS: 5
929 95.04929 2304002.0 929 95.04929 2304002.0
930 151.1118 339052.0 930 151.1118 339052.0
931 152.07103 1283617.0 931 152.07103 1283617.0
932 208.13309 261671.0 932 208.13309 261671.0
933 208.15242 67196.0 933 208.15242 67196.0
934 934
935 SCANNUMBER: 7794 935 SCANNUMBER: 7794
936 PRECURSORTYPE: [M+H]+
937 IONMODE: Positive 936 IONMODE: Positive
938 SPECTRUMTYPE: Centroid 937 SPECTRUMTYPE: Centroid
939 FORMULA: C21H11N2O3ClF6 938 FORMULA: C21H11N2O3ClF6
940 INCHIKEY: RYLHNOVXKPXDIP-UHFFFAOYSA-N 939 INCHIKEY: RYLHNOVXKPXDIP-UHFFFAOYSA-N
941 INCHI: 940 INCHI:
942 SMILES: OC(=Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F)N=C(c1c(F)cccc1F)O 941 SMILES: OC(=Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F)N=C(c1c(F)cccc1F)O
943 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 942 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
944 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 943 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
945 INSTRUMENTTYPE: LC-ESI-Orbitrap
946 IONIZATION: ESI+ 944 IONIZATION: ESI+
947 LICENSE: CC BY-NC 945 LICENSE: CC BY-NC
948 COMMENT: 946 COMMENT:
949 COMPOUND_NAME: Flufenoxuron 947 COMPOUND_NAME: Flufenoxuron
950 RETENTION_TIME: 7.258582 948 RETENTION_TIME: 7.258582
951 PRECURSOR_MZ: 489.044 949 PRECURSOR_MZ: 489.044
952 COLLISION_ENERGY: 950 ADDUCT: [M+H]+
951 COLLISION_ENERGY:
952 INSTRUMENT_TYPE: LC-ESI-Orbitrap
953 NUM PEAKS: 9 953 NUM PEAKS: 9
954 140.03102 198040.0 954 140.03102 198040.0
955 141.01498 8731300.0 955 141.01498 8731300.0
956 141.02489 125031.0 956 141.02489 125031.0
957 158.04167 5469943.0 957 158.04167 5469943.0
960 328.76389 301405.0 960 328.76389 301405.0
961 407.68225 401379.0 961 407.68225 401379.0
962 409.68002 103253.0 962 409.68002 103253.0
963 963
964 SCANNUMBER: 1879 964 SCANNUMBER: 1879
965 PRECURSORTYPE: [M+H]+
966 IONMODE: Positive 965 IONMODE: Positive
967 SPECTRUMTYPE: Centroid 966 SPECTRUMTYPE: Centroid
968 FORMULA: C10H11N2OF3 967 FORMULA: C10H11N2OF3
969 INCHIKEY: RZILCCPWPBTYDO-UHFFFAOYSA-N 968 INCHIKEY: RZILCCPWPBTYDO-UHFFFAOYSA-N
970 INCHI: 969 INCHI:
971 SMILES: OC(=Nc1cccc(c1)C(F)(F)F)N(C)C 970 SMILES: OC(=Nc1cccc(c1)C(F)(F)F)N(C)C
972 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 971 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
973 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 972 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
974 INSTRUMENTTYPE: LC-ESI-Orbitrap
975 IONIZATION: ESI+ 973 IONIZATION: ESI+
976 LICENSE: CC BY-NC 974 LICENSE: CC BY-NC
977 COMMENT: 975 COMMENT:
978 COMPOUND_NAME: Fluometuron 976 COMPOUND_NAME: Fluometuron
979 RETENTION_TIME: 4.295248 977 RETENTION_TIME: 4.295248
980 PRECURSOR_MZ: 233.0903 978 PRECURSOR_MZ: 233.0903
981 COLLISION_ENERGY: 979 ADDUCT: [M+H]+
980 COLLISION_ENERGY:
981 INSTRUMENT_TYPE: LC-ESI-Orbitrap
982 NUM PEAKS: 14 982 NUM PEAKS: 14
983 133.02617 72647.0 983 133.02617 72647.0
984 140.03056 412576.0 984 140.03056 412576.0
985 141.02579 30382.0 985 141.02579 30382.0
986 145.02599 1001995.0 986 145.02599 1001995.0
994 178.04784 113811.0 994 178.04784 113811.0
995 188.03226 109696.0 995 188.03226 109696.0
996 192.06305 82452.0 996 192.06305 82452.0
997 997
998 SCANNUMBER: 3521 998 SCANNUMBER: 3521
999 PRECURSORTYPE: [M+H]+
1000 IONMODE: Positive 999 IONMODE: Positive
1001 SPECTRUMTYPE: Centroid 1000 SPECTRUMTYPE: Centroid
1002 FORMULA: C12H10N3OCl 1001 FORMULA: C12H10N3OCl
1003 INCHIKEY: GPXLRLUVLMHHIK-UHFFFAOYSA-N 1002 INCHIKEY: GPXLRLUVLMHHIK-UHFFFAOYSA-N
1004 INCHI: 1003 INCHI:
1005 SMILES: OC(=Nc1ccccc1)Nc1ccnc(c1)Cl 1004 SMILES: OC(=Nc1ccccc1)Nc1ccnc(c1)Cl
1006 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1005 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1007 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1006 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1008 INSTRUMENTTYPE: LC-ESI-Orbitrap
1009 IONIZATION: ESI+ 1007 IONIZATION: ESI+
1010 LICENSE: CC BY-NC 1008 LICENSE: CC BY-NC
1011 COMMENT: 1009 COMMENT:
1012 COMPOUND_NAME: Forchlorfenuron 1010 COMPOUND_NAME: Forchlorfenuron
1013 RETENTION_TIME: 6.068144 1011 RETENTION_TIME: 6.068144
1014 PRECURSOR_MZ: 248.0593 1012 PRECURSOR_MZ: 248.0593
1015 COLLISION_ENERGY: 1013 ADDUCT: [M+H]+
1014 COLLISION_ENERGY:
1015 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1016 NUM PEAKS: 6 1016 NUM PEAKS: 6
1017 93.04498 1144138.0 1017 93.04498 1144138.0
1018 94.06544 222850.0 1018 94.06544 222850.0
1019 111.05567 15214406.0 1019 111.05567 15214406.0
1020 129.02182 20609304.0 1020 129.02182 20609304.0
1021 137.03458 1954463.0 1021 137.03458 1954463.0
1022 155.00107 2962225.0 1022 155.00107 2962225.0
1023 1023
1024 SCANNUMBER: 1109 1024 SCANNUMBER: 1109
1025 PRECURSORTYPE: [M+H]+
1026 IONMODE: Positive 1025 IONMODE: Positive
1027 SPECTRUMTYPE: Centroid 1026 SPECTRUMTYPE: Centroid
1028 FORMULA: C12H15NO4 1027 FORMULA: C12H15NO4
1029 INCHIKEY: RHSUJRQZTQNSLL-JTQLQIEISA-N 1028 INCHIKEY: RHSUJRQZTQNSLL-JTQLQIEISA-N
1030 INCHI: 1029 INCHI:
1031 SMILES: CN=C(Oc1cccc2c1OC(C2O)(C)C)O 1030 SMILES: CN=C(Oc1cccc2c1OC(C2O)(C)C)O
1032 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1031 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1033 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1032 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1034 INSTRUMENTTYPE: LC-ESI-Orbitrap
1035 IONIZATION: ESI+ 1033 IONIZATION: ESI+
1036 LICENSE: CC BY-NC 1034 LICENSE: CC BY-NC
1037 COMMENT: 1035 COMMENT:
1038 COMPOUND_NAME: 3-Hydroxycarbofuran 1036 COMPOUND_NAME: 3-Hydroxycarbofuran
1039 RETENTION_TIME: 2.534817 1037 RETENTION_TIME: 2.534817
1040 PRECURSOR_MZ: 238.1075 1038 PRECURSOR_MZ: 238.1075
1041 COLLISION_ENERGY: 1039 ADDUCT: [M+H]+
1040 COLLISION_ENERGY:
1041 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1042 NUM PEAKS: 7 1042 NUM PEAKS: 7
1043 135.08051 61121.0 1043 135.08051 61121.0
1044 163.07562 1270756.0 1044 163.07562 1270756.0
1045 181.08611 3459316.0 1045 181.08611 3459316.0
1046 207.06541 67306.0 1046 207.06541 67306.0
1047 208.95668 38515.0 1047 208.95668 38515.0
1048 220.09669 446913.0 1048 220.09669 446913.0
1049 238.10802 398788.0 1049 238.10802 398788.0
1050 1050
1051 SCANNUMBER: 7519 1051 SCANNUMBER: 7519
1052 PRECURSORTYPE: [M+H]+
1053 IONMODE: Positive 1052 IONMODE: Positive
1054 SPECTRUMTYPE: Centroid 1053 SPECTRUMTYPE: Centroid
1055 FORMULA: C22H17N3O7ClF3 1054 FORMULA: C22H17N3O7ClF3
1056 INCHIKEY: VBCVPMMZEGZULK-NRFANRHFSA-N 1055 INCHIKEY: VBCVPMMZEGZULK-NRFANRHFSA-N
1057 INCHI: 1056 INCHI:
1058 SMILES: COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F 1057 SMILES: COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F
1059 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1058 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1060 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1059 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1061 INSTRUMENTTYPE: LC-ESI-Orbitrap
1062 IONIZATION: ESI+ 1060 IONIZATION: ESI+
1063 LICENSE: CC BY-NC 1061 LICENSE: CC BY-NC
1064 COMMENT: 1062 COMMENT:
1065 COMPOUND_NAME: Indoxacarb 1063 COMPOUND_NAME: Indoxacarb
1066 RETENTION_TIME: 7.23968 1064 RETENTION_TIME: 7.23968
1067 PRECURSOR_MZ: 528.0795 1065 PRECURSOR_MZ: 528.0795
1068 COLLISION_ENERGY: 1066 ADDUCT: [M+H]+
1067 COLLISION_ENERGY:
1068 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1069 NUM PEAKS: 38 1069 NUM PEAKS: 38
1070 104.04956 303700.0 1070 104.04956 303700.0
1071 127.04175 99545.0 1071 127.04175 99545.0
1072 128.06201 117126.0 1072 128.06201 117126.0
1073 132.04463 290691.0 1073 132.04463 290691.0
1105 218.04218 536326.0 1105 218.04218 536326.0
1106 219.03232 457473.0 1106 219.03232 457473.0
1107 223.01553 87858.0 1107 223.01553 87858.0
1108 1108
1109 SCANNUMBER: 3798 1109 SCANNUMBER: 3798
1110 PRECURSORTYPE: [M+H]+
1111 IONMODE: Positive 1110 IONMODE: Positive
1112 SPECTRUMTYPE: Centroid 1111 SPECTRUMTYPE: Centroid
1113 FORMULA: C18H28N2O3 1112 FORMULA: C18H28N2O3
1114 INCHIKEY: NWUWYYSKZYIQAE-WMCAAGNKSA-N 1113 INCHIKEY: NWUWYYSKZYIQAE-WMCAAGNKSA-N
1115 INCHI: 1114 INCHI:
1116 SMILES: CC(OC(=NC(C(=NC(c1ccc(cc1)C)C)O)C(C)C)O)C 1115 SMILES: CC(OC(=NC(C(=NC(c1ccc(cc1)C)C)O)C(C)C)O)C
1117 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1116 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1118 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1117 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1119 INSTRUMENTTYPE: LC-ESI-Orbitrap
1120 IONIZATION: ESI+ 1118 IONIZATION: ESI+
1121 LICENSE: CC BY-NC 1119 LICENSE: CC BY-NC
1122 COMMENT: 1120 COMMENT:
1123 COMPOUND_NAME: Iprovalicarb 1121 COMPOUND_NAME: Iprovalicarb
1124 RETENTION_TIME: 6.291288 1122 RETENTION_TIME: 6.291288
1125 PRECURSOR_MZ: 321.218 1123 PRECURSOR_MZ: 321.218
1126 COLLISION_ENERGY: 1124 ADDUCT: [M+H]+
1125 COLLISION_ENERGY:
1126 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1127 NUM PEAKS: 9 1127 NUM PEAKS: 9
1128 116.07085 2061421.0 1128 116.07085 2061421.0
1129 117.10262 213026.0 1129 117.10262 213026.0
1130 119.0857 8088768.0 1130 119.0857 8088768.0
1131 144.06569 976637.0 1131 144.06569 976637.0
1134 186.11298 1809182.0 1134 186.11298 1809182.0
1135 203.13902 3619220.0 1135 203.13902 3619220.0
1136 321.21719 658523.0 1136 321.21719 658523.0
1137 1137
1138 SCANNUMBER: 2221 1138 SCANNUMBER: 2221
1139 PRECURSORTYPE: [M+H]+
1140 IONMODE: Positive 1139 IONMODE: Positive
1141 SPECTRUMTYPE: Centroid 1140 SPECTRUMTYPE: Centroid
1142 FORMULA: C12H18N2O 1141 FORMULA: C12H18N2O
1143 INCHIKEY: PUIYMUZLKQOUOZ-UHFFFAOYSA-N 1142 INCHIKEY: PUIYMUZLKQOUOZ-UHFFFAOYSA-N
1144 INCHI: 1143 INCHI:
1145 SMILES: O=C(N(C)C)Nc1ccc(cc1)C(C)C 1144 SMILES: O=C(N(C)C)Nc1ccc(cc1)C(C)C
1146 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1145 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1147 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1146 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1148 INSTRUMENTTYPE: LC-ESI-Orbitrap
1149 IONIZATION: ESI+ 1147 IONIZATION: ESI+
1150 LICENSE: CC BY-NC 1148 LICENSE: CC BY-NC
1151 COMMENT: 1149 COMMENT:
1152 COMPOUND_NAME: Isoproturon 1150 COMPOUND_NAME: Isoproturon
1153 RETENTION_TIME: 4.953308 1151 RETENTION_TIME: 4.953308
1154 PRECURSOR_MZ: 207.1494 1152 PRECURSOR_MZ: 207.1494
1155 COLLISION_ENERGY: 1153 ADDUCT: [M+H]+
1154 COLLISION_ENERGY:
1155 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1156 NUM PEAKS: 27 1156 NUM PEAKS: 27
1157 91.05442 804905.0 1157 91.05442 804905.0
1158 92.04957 254047.0 1158 92.04957 254047.0
1159 93.0575 33128.0 1159 93.0575 33128.0
1160 93.07003 116103.0 1160 93.07003 116103.0
1181 147.0919 129941.0 1181 147.0919 129941.0
1182 162.09142 42617.0 1182 162.09142 42617.0
1183 165.10242 74899.0 1183 165.10242 74899.0
1184 1184
1185 SCANNUMBER: 3991 1185 SCANNUMBER: 3991
1186 PRECURSORTYPE: [M+H]+
1187 IONMODE: Positive 1186 IONMODE: Positive
1188 SPECTRUMTYPE: Centroid 1187 SPECTRUMTYPE: Centroid
1189 FORMULA: C9H10N2O2Cl2 1188 FORMULA: C9H10N2O2Cl2
1190 INCHIKEY: XKJMBINCVNINCA-UHFFFAOYSA-N 1189 INCHIKEY: XKJMBINCVNINCA-UHFFFAOYSA-N
1191 INCHI: 1190 INCHI:
1192 SMILES: CON(C(=Nc1ccc(c(c1)Cl)Cl)O)C 1191 SMILES: CON(C(=Nc1ccc(c(c1)Cl)Cl)O)C
1193 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1192 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1194 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1193 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1195 INSTRUMENTTYPE: LC-ESI-Orbitrap
1196 IONIZATION: ESI+ 1194 IONIZATION: ESI+
1197 LICENSE: CC BY-NC 1195 LICENSE: CC BY-NC
1198 COMMENT: 1196 COMMENT:
1199 COMPOUND_NAME: Linuron 1197 COMPOUND_NAME: Linuron
1200 RETENTION_TIME: 6.428301 1198 RETENTION_TIME: 6.428301
1201 PRECURSOR_MZ: 249.0202 1199 PRECURSOR_MZ: 249.0202
1202 COLLISION_ENERGY: 1200 ADDUCT: [M+H]+
1201 COLLISION_ENERGY:
1202 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1203 NUM PEAKS: 17 1203 NUM PEAKS: 17
1204 123.99524 160993.0 1204 123.99524 160993.0
1205 125.00295 934482.0 1205 125.00295 934482.0
1206 126.01085 53171.0 1206 126.01085 53171.0
1207 127.0187 34132.0 1207 127.0187 34132.0
1218 181.0168 457538.0 1218 181.0168 457538.0
1219 182.02429 570846.0 1219 182.02429 570846.0
1220 216.99352 182540.0 1220 216.99352 182540.0
1221 1221
1222 SCANNUMBER: 2948 1222 SCANNUMBER: 2948
1223 PRECURSORTYPE: [M+H]+
1224 IONMODE: Positive 1223 IONMODE: Positive
1225 SPECTRUMTYPE: Centroid 1224 SPECTRUMTYPE: Centroid
1226 FORMULA: C9H11N2O2Br 1225 FORMULA: C9H11N2O2Br
1227 INCHIKEY: WLFDQEVORAMCIM-UHFFFAOYSA-N 1226 INCHIKEY: WLFDQEVORAMCIM-UHFFFAOYSA-N
1228 INCHI: 1227 INCHI:
1229 SMILES: CON(C(=O)Nc1ccc(cc1)Br)C 1228 SMILES: CON(C(=O)Nc1ccc(cc1)Br)C
1230 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1229 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1231 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1230 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1232 INSTRUMENTTYPE: LC-ESI-Orbitrap
1233 IONIZATION: ESI+ 1231 IONIZATION: ESI+
1234 LICENSE: CC BY-NC 1232 LICENSE: CC BY-NC
1235 COMMENT: 1233 COMMENT:
1236 COMPOUND_NAME: Metobromuron 1234 COMPOUND_NAME: Metobromuron
1237 RETENTION_TIME: 5.555997 1235 RETENTION_TIME: 5.555997
1238 PRECURSOR_MZ: 259.0081 1236 PRECURSOR_MZ: 259.0081
1239 COLLISION_ENERGY: 1237 ADDUCT: [M+H]+
1238 COLLISION_ENERGY:
1239 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1240 NUM PEAKS: 15 1240 NUM PEAKS: 15
1241 90.03403 60649.0 1241 90.03403 60649.0
1242 91.04183 2389714.0 1242 91.04183 2389714.0
1243 92.04957 214805.0 1243 92.04957 214805.0
1244 93.0575 47461.0 1244 93.0575 47461.0
1253 170.96819 2866842.0 1253 170.96819 2866842.0
1254 183.97557 70285.0 1254 183.97557 70285.0
1255 226.98169 352678.0 1255 226.98169 352678.0
1256 1256
1257 SCANNUMBER: 2345 1257 SCANNUMBER: 2345
1258 PRECURSORTYPE: [M+H]+
1259 IONMODE: Positive 1258 IONMODE: Positive
1260 SPECTRUMTYPE: Centroid 1259 SPECTRUMTYPE: Centroid
1261 FORMULA: C9H11N2O2Cl 1260 FORMULA: C9H11N2O2Cl
1262 INCHIKEY: LKJPSUCKSLORMF-UHFFFAOYSA-N 1261 INCHIKEY: LKJPSUCKSLORMF-UHFFFAOYSA-N
1263 INCHI: 1262 INCHI:
1264 SMILES: CON(C(=O)Nc1ccc(cc1)Cl)C 1263 SMILES: CON(C(=O)Nc1ccc(cc1)Cl)C
1265 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1264 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1266 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1265 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1267 INSTRUMENTTYPE: LC-ESI-Orbitrap
1268 IONIZATION: ESI+ 1266 IONIZATION: ESI+
1269 LICENSE: CC BY-NC 1267 LICENSE: CC BY-NC
1270 COMMENT: 1268 COMMENT:
1271 COMPOUND_NAME: Monolinuron 1269 COMPOUND_NAME: Monolinuron
1272 RETENTION_TIME: 5.086284 1270 RETENTION_TIME: 5.086284
1273 PRECURSOR_MZ: 215.0587 1271 PRECURSOR_MZ: 215.0587
1274 COLLISION_ENERGY: 1272 ADDUCT: [M+H]+
1273 COLLISION_ENERGY:
1274 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1275 NUM PEAKS: 16 1275 NUM PEAKS: 16
1276 90.03403 245033.0 1276 90.03403 245033.0
1277 91.04183 266487.0 1277 91.04183 266487.0
1278 92.0498 149734.0 1278 92.0498 149734.0
1279 93.0575 65470.0 1279 93.0575 65470.0
1289 147.05553 873918.0 1289 147.05553 873918.0
1290 148.06332 1071865.0 1290 148.06332 1071865.0
1291 183.03224 448058.0 1291 183.03224 448058.0
1292 1292
1293 SCANNUMBER: 6056 1293 SCANNUMBER: 6056
1294 PRECURSORTYPE: [M+H]+
1295 IONMODE: Positive 1294 IONMODE: Positive
1296 SPECTRUMTYPE: Centroid 1295 SPECTRUMTYPE: Centroid
1297 FORMULA: C17H19NO4 1296 FORMULA: C17H19NO4
1298 INCHIKEY: HJUFTIJOISQSKQ-UHFFFAOYSA-N 1297 INCHIKEY: HJUFTIJOISQSKQ-UHFFFAOYSA-N
1299 INCHI: 1298 INCHI:
1300 SMILES: CCOC(=NCCOc1ccc(cc1)Oc1ccccc1)O 1299 SMILES: CCOC(=NCCOc1ccc(cc1)Oc1ccccc1)O
1301 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1300 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1302 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1301 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1303 INSTRUMENTTYPE: LC-ESI-Orbitrap
1304 IONIZATION: ESI+ 1302 IONIZATION: ESI+
1305 LICENSE: CC BY-NC 1303 LICENSE: CC BY-NC
1306 COMMENT: 1304 COMMENT:
1307 COMPOUND_NAME: Fenoxycarb 1305 COMPOUND_NAME: Fenoxycarb
1308 RETENTION_TIME: 7.007411 1306 RETENTION_TIME: 7.007411
1309 PRECURSOR_MZ: 302.1392 1307 PRECURSOR_MZ: 302.1392
1310 COLLISION_ENERGY: 1308 ADDUCT: [M+H]+
1309 COLLISION_ENERGY:
1310 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1311 NUM PEAKS: 4 1311 NUM PEAKS: 4
1312 88.03963 3398675.0 1312 88.03963 3398675.0
1313 116.07085 7870537.0 1313 116.07085 7870537.0
1314 256.09756 3714539.0 1314 256.09756 3714539.0
1315 302.13986 4154405.0 1315 302.13986 4154405.0
1316 1316
1317 SCANNUMBER: 1173 1317 SCANNUMBER: 1173
1318 PRECURSORTYPE: [M+H]+
1319 IONMODE: Positive 1318 IONMODE: Positive
1320 SPECTRUMTYPE: Centroid 1319 SPECTRUMTYPE: Centroid
1321 FORMULA: C9H12N2O 1320 FORMULA: C9H12N2O
1322 INCHIKEY: XXOYNJXVWVNOOJ-UHFFFAOYSA-N 1321 INCHIKEY: XXOYNJXVWVNOOJ-UHFFFAOYSA-N
1323 INCHI: 1322 INCHI:
1324 SMILES: CN(C(=Nc1ccccc1)O)C 1323 SMILES: CN(C(=Nc1ccccc1)O)C
1325 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1324 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1326 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1325 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1327 INSTRUMENTTYPE: LC-ESI-Orbitrap
1328 IONIZATION: ESI+ 1326 IONIZATION: ESI+
1329 LICENSE: CC BY-NC 1327 LICENSE: CC BY-NC
1330 COMMENT: 1328 COMMENT:
1331 COMPOUND_NAME: Fenuron 1329 COMPOUND_NAME: Fenuron
1332 RETENTION_TIME: 2.603287 1330 RETENTION_TIME: 2.603287
1333 PRECURSOR_MZ: 165.1026 1331 PRECURSOR_MZ: 165.1026
1334 COLLISION_ENERGY: 1332 ADDUCT: [M+H]+
1333 COLLISION_ENERGY:
1334 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1335 NUM PEAKS: 8 1335 NUM PEAKS: 8
1336 90.94795 13666.0 1336 90.94795 13666.0
1337 92.04957 465012.0 1337 92.04957 465012.0
1338 93.0575 10288.0 1338 93.0575 10288.0
1339 95.0478 10698.0 1339 95.0478 10698.0
1341 104.96333 7099.0 1341 104.96333 7099.0
1342 105.04477 391134.0 1342 105.04477 391134.0
1343 120.04464 89335.0 1343 120.04464 89335.0
1344 1344
1345 SCANNUMBER: 2001 1345 SCANNUMBER: 2001
1346 PRECURSORTYPE: [M+H]+
1347 IONMODE: Positive 1346 IONMODE: Positive
1348 SPECTRUMTYPE: Centroid 1347 SPECTRUMTYPE: Centroid
1349 FORMULA: C11H15NO2 1348 FORMULA: C11H15NO2
1350 INCHIKEY: QBSJMKIUCUGGNG-UHFFFAOYSA-N 1349 INCHIKEY: QBSJMKIUCUGGNG-UHFFFAOYSA-N
1351 INCHI: 1350 INCHI:
1352 SMILES: CN=C(Oc1ccccc1C(C)C)O 1351 SMILES: CN=C(Oc1ccccc1C(C)C)O
1353 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1352 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1354 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1353 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1355 INSTRUMENTTYPE: LC-ESI-Orbitrap
1356 IONIZATION: ESI+ 1354 IONIZATION: ESI+
1357 LICENSE: CC BY-NC 1355 LICENSE: CC BY-NC
1358 COMMENT: 1356 COMMENT:
1359 COMPOUND_NAME: Isoprocarb 1357 COMPOUND_NAME: Isoprocarb
1360 RETENTION_TIME: 4.552796 1358 RETENTION_TIME: 4.552796
1361 PRECURSOR_MZ: 194.1181 1359 PRECURSOR_MZ: 194.1181
1362 COLLISION_ENERGY: 1360 ADDUCT: [M+H]+
1361 COLLISION_ENERGY:
1362 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1363 NUM PEAKS: 4 1363 NUM PEAKS: 4
1364 95.04929 1741248.0 1364 95.04929 1741248.0
1365 137.09615 1255669.0 1365 137.09615 1255669.0
1366 152.07103 658146.0 1366 152.07103 658146.0
1367 194.11743 393850.0 1367 194.11743 393850.0
1368 1368
1369 SCANNUMBER: 8910 1369 SCANNUMBER: 8910
1370 PRECURSORTYPE: [M+H]+
1371 IONMODE: Positive 1370 IONMODE: Positive
1372 SPECTRUMTYPE: Centroid 1371 SPECTRUMTYPE: Centroid
1373 FORMULA: C19H18N3O4Cl 1372 FORMULA: C19H18N3O4Cl
1374 INCHIKEY: HZRSNVGNWUDEFX-UHFFFAOYSA-N 1373 INCHIKEY: HZRSNVGNWUDEFX-UHFFFAOYSA-N
1375 INCHI: 1374 INCHI:
1376 SMILES: COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC 1375 SMILES: COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC
1377 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1376 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1378 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1377 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1379 INSTRUMENTTYPE: LC-ESI-Orbitrap
1380 IONIZATION: ESI+ 1378 IONIZATION: ESI+
1381 LICENSE: CC BY-NC 1379 LICENSE: CC BY-NC
1382 COMMENT: 1380 COMMENT:
1383 COMPOUND_NAME: Pyraclostrobin 1381 COMPOUND_NAME: Pyraclostrobin
1384 RETENTION_TIME: 7.421628 1382 RETENTION_TIME: 7.421628
1385 PRECURSOR_MZ: 388.107 1383 PRECURSOR_MZ: 388.107
1386 COLLISION_ENERGY: 1384 ADDUCT: [M+H]+
1385 COLLISION_ENERGY:
1386 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1387 NUM PEAKS: 11 1387 NUM PEAKS: 11
1388 162.0554 983545.0 1388 162.0554 983545.0
1389 163.06332 1950324.0 1389 163.06332 1950324.0
1390 164.07108 4818863.0 1390 164.07108 4818863.0
1391 194.08186 23217608.0 1391 194.08186 23217608.0
1396 356.08151 2958382.0 1396 356.08151 2958382.0
1397 357.08807 317478.0 1397 357.08807 317478.0
1398 388.10776 6476718.0 1398 388.10776 6476718.0
1399 1399
1400 SCANNUMBER: 3358 1400 SCANNUMBER: 3358
1401 PRECURSORTYPE: [M+H]+
1402 IONMODE: Positive 1401 IONMODE: Positive
1403 SPECTRUMTYPE: Centroid 1402 SPECTRUMTYPE: Centroid
1404 FORMULA: C14H20N2O 1403 FORMULA: C14H20N2O
1405 INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N 1404 INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N
1406 INCHI: 1405 INCHI:
1407 SMILES: CC1CCCCC1NC(=Nc1ccccc1)O 1406 SMILES: CC1CCCCC1NC(=Nc1ccccc1)O
1408 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1407 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1409 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1408 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1410 INSTRUMENTTYPE: LC-ESI-Orbitrap
1411 IONIZATION: ESI+ 1409 IONIZATION: ESI+
1412 LICENSE: CC BY-NC 1410 LICENSE: CC BY-NC
1413 COMMENT: 1411 COMMENT:
1414 COMPOUND_NAME: Siduron_1 1412 COMPOUND_NAME: Siduron_1
1415 RETENTION_TIME: 5.922128 1413 RETENTION_TIME: 5.922128
1416 PRECURSOR_MZ: 233.1652 1414 PRECURSOR_MZ: 233.1652
1417 COLLISION_ENERGY: 1415 ADDUCT: [M+H]+
1416 COLLISION_ENERGY:
1417 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1418 NUM PEAKS: 8 1418 NUM PEAKS: 8
1419 92.0498 933541.0 1419 92.0498 933541.0
1420 93.0575 170423.0 1420 93.0575 170423.0
1421 94.06544 14211722.0 1421 94.06544 14211722.0
1422 95.04929 2073643.0 1422 95.04929 2073643.0
1424 105.04506 1075144.0 1424 105.04506 1075144.0
1425 120.04464 1602718.0 1425 120.04464 1602718.0
1426 137.07117 1760320.0 1426 137.07117 1760320.0
1427 1427
1428 SCANNUMBER: 3451 1428 SCANNUMBER: 3451
1429 PRECURSORTYPE: [M+H]+
1430 IONMODE: Positive 1429 IONMODE: Positive
1431 SPECTRUMTYPE: Centroid 1430 SPECTRUMTYPE: Centroid
1432 FORMULA: C14H20N2O 1431 FORMULA: C14H20N2O
1433 INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N 1432 INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N
1434 INCHI: 1433 INCHI:
1435 SMILES: CC1CCCCC1NC(=Nc1ccccc1)O 1434 SMILES: CC1CCCCC1NC(=Nc1ccccc1)O
1436 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1435 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1437 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1436 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1438 INSTRUMENTTYPE: LC-ESI-Orbitrap
1439 IONIZATION: ESI+ 1437 IONIZATION: ESI+
1440 LICENSE: CC BY-NC 1438 LICENSE: CC BY-NC
1441 COMMENT: 1439 COMMENT:
1442 COMPOUND_NAME: Siduron_2 1440 COMPOUND_NAME: Siduron_2
1443 RETENTION_TIME: 6.048454 1441 RETENTION_TIME: 6.048454
1444 PRECURSOR_MZ: 233.1654 1442 PRECURSOR_MZ: 233.1654
1445 COLLISION_ENERGY: 1443 ADDUCT: [M+H]+
1444 COLLISION_ENERGY:
1445 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1446 NUM PEAKS: 8 1446 NUM PEAKS: 8
1447 92.04957 227079.0 1447 92.04957 227079.0
1448 93.0575 48287.0 1448 93.0575 48287.0
1449 94.06519 3308508.0 1449 94.06519 3308508.0
1450 95.04929 491391.0 1450 95.04929 491391.0
1452 105.04477 331107.0 1452 105.04477 331107.0
1453 120.04464 414038.0 1453 120.04464 414038.0
1454 137.07117 494688.0 1454 137.07117 494688.0
1455 1455
1456 SCANNUMBER: 6489 1456 SCANNUMBER: 6489
1457 PRECURSORTYPE: [M+H]+
1458 IONMODE: Positive 1457 IONMODE: Positive
1459 SPECTRUMTYPE: Centroid 1458 SPECTRUMTYPE: Centroid
1460 FORMULA: C12H16NOClS 1459 FORMULA: C12H16NOClS
1461 INCHIKEY: QHTQREMOGMZHJV-UHFFFAOYSA-N 1460 INCHIKEY: QHTQREMOGMZHJV-UHFFFAOYSA-N
1462 INCHI: 1461 INCHI:
1463 SMILES: CCN(C(=O)SCc1ccc(cc1)Cl)CC 1462 SMILES: CCN(C(=O)SCc1ccc(cc1)Cl)CC
1464 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1463 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1465 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1464 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1466 INSTRUMENTTYPE: LC-ESI-Orbitrap
1467 IONIZATION: ESI+ 1465 IONIZATION: ESI+
1468 LICENSE: CC BY-NC 1466 LICENSE: CC BY-NC
1469 COMMENT: 1467 COMMENT:
1470 COMPOUND_NAME: Thiobencarb 1468 COMPOUND_NAME: Thiobencarb
1471 RETENTION_TIME: 7.094566 1469 RETENTION_TIME: 7.094566
1472 PRECURSOR_MZ: 258.0717 1470 PRECURSOR_MZ: 258.0717
1473 COLLISION_ENERGY: 1471 ADDUCT: [M+H]+
1472 COLLISION_ENERGY:
1473 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1474 NUM PEAKS: 3 1474 NUM PEAKS: 3
1475 89.03883 1114558.0 1475 89.03883 1114558.0
1476 98.99973 585236.0 1476 98.99973 585236.0
1477 125.01533 28327212.0 1477 125.01533 28327212.0
1478 1478
1479 SCANNUMBER: 5946 1479 SCANNUMBER: 5946
1480 PRECURSORTYPE: [M+H]+
1481 IONMODE: Positive 1480 IONMODE: Positive
1482 SPECTRUMTYPE: Centroid 1481 SPECTRUMTYPE: Centroid
1483 FORMULA: C15H10N2O3ClF3 1482 FORMULA: C15H10N2O3ClF3
1484 INCHIKEY: XAIPTRIXGHTTNT-UHFFFAOYSA-N 1483 INCHIKEY: XAIPTRIXGHTTNT-UHFFFAOYSA-N
1485 INCHI: 1484 INCHI:
1486 SMILES: O=C(N=C(c1ccccc1Cl)O)Nc1ccc(cc1)OC(F)(F)F 1485 SMILES: O=C(N=C(c1ccccc1Cl)O)Nc1ccc(cc1)OC(F)(F)F
1487 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1486 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1488 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1487 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1489 INSTRUMENTTYPE: LC-ESI-Orbitrap
1490 IONIZATION: ESI+ 1488 IONIZATION: ESI+
1491 LICENSE: CC BY-NC 1489 LICENSE: CC BY-NC
1492 COMMENT: 1490 COMMENT:
1493 COMPOUND_NAME: Triflumuron 1491 COMPOUND_NAME: Triflumuron
1494 RETENTION_TIME: 6.978649 1492 RETENTION_TIME: 6.978649
1495 PRECURSOR_MZ: 359.0412 1493 PRECURSOR_MZ: 359.0412
1496 COLLISION_ENERGY: 1494 ADDUCT: [M+H]+
1495 COLLISION_ENERGY:
1496 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1497 NUM PEAKS: 7 1497 NUM PEAKS: 7
1498 113.01541 658622.0 1498 113.01541 658622.0
1499 129.01042 138249.0 1499 129.01042 138249.0
1500 138.011 140957.0 1500 138.011 140957.0
1501 138.99484 9851099.0 1501 138.99484 9851099.0
1502 139.00452 474854.0 1502 139.00452 474854.0
1503 156.02116 3353307.0 1503 156.02116 3353307.0
1504 178.04784 200379.0 1504 178.04784 200379.0
1505 1505
1506 SCANNUMBER: 3629 1506 SCANNUMBER: 3629
1507 PRECURSORTYPE: [M+H]+
1508 IONMODE: Positive 1507 IONMODE: Positive
1509 SPECTRUMTYPE: Centroid 1508 SPECTRUMTYPE: Centroid
1510 FORMULA: C10H13NO2 1509 FORMULA: C10H13NO2
1511 INCHIKEY: VXPLXMJHHKHSOA-UHFFFAOYSA-N 1510 INCHIKEY: VXPLXMJHHKHSOA-UHFFFAOYSA-N
1512 INCHI: 1511 INCHI:
1513 SMILES: CC(OC(=Nc1ccccc1)O)C 1512 SMILES: CC(OC(=Nc1ccccc1)O)C
1514 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1513 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1515 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1514 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1516 INSTRUMENTTYPE: LC-ESI-Orbitrap
1517 IONIZATION: ESI+ 1515 IONIZATION: ESI+
1518 LICENSE: CC BY-NC 1516 LICENSE: CC BY-NC
1519 COMMENT: 1517 COMMENT:
1520 COMPOUND_NAME: Propham 1518 COMPOUND_NAME: Propham
1521 RETENTION_TIME: 6.134321 1519 RETENTION_TIME: 6.134321
1522 PRECURSOR_MZ: 180.1022 1520 PRECURSOR_MZ: 180.1022
1523 COLLISION_ENERGY: 1521 ADDUCT: [M+H]+
1522 COLLISION_ENERGY:
1523 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1524 NUM PEAKS: 13 1524 NUM PEAKS: 13
1525 91.05442 8291.0 1525 91.05442 8291.0
1526 93.0575 2806.0 1526 93.0575 2806.0
1527 95.04929 8647.0 1527 95.04929 8647.0
1528 96.04461 67785.0 1528 96.04461 67785.0
1535 124.03935 187312.0 1535 124.03935 187312.0
1536 134.0237 14609.0 1536 134.0237 14609.0
1537 152.0343 3135.0 1537 152.0343 3135.0
1538 1538
1539 SCANNUMBER: 1562 1539 SCANNUMBER: 1562
1540 PRECURSORTYPE: [M+H]+
1541 IONMODE: Positive 1540 IONMODE: Positive
1542 SPECTRUMTYPE: Centroid 1541 SPECTRUMTYPE: Centroid
1543 FORMULA: C11H15NO3 1542 FORMULA: C11H15NO3
1544 INCHIKEY: ISRUGXGCCGIOQO-UHFFFAOYSA-N 1543 INCHIKEY: ISRUGXGCCGIOQO-UHFFFAOYSA-N
1545 INCHI: 1544 INCHI:
1546 SMILES: CN=C(Oc1ccccc1OC(C)C)O 1545 SMILES: CN=C(Oc1ccccc1OC(C)C)O
1547 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1546 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1548 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1547 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1549 INSTRUMENTTYPE: LC-ESI-Orbitrap
1550 IONIZATION: ESI+ 1548 IONIZATION: ESI+
1551 LICENSE: CC BY-NC 1549 LICENSE: CC BY-NC
1552 COMMENT: 1550 COMMENT:
1553 COMPOUND_NAME: Propoxur 1551 COMPOUND_NAME: Propoxur
1554 RETENTION_TIME: 3.894733 1552 RETENTION_TIME: 3.894733
1555 PRECURSOR_MZ: 210.1129 1553 PRECURSOR_MZ: 210.1129
1556 COLLISION_ENERGY: 1554 ADDUCT: [M+H]+
1555 COLLISION_ENERGY:
1556 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1557 NUM PEAKS: 6 1557 NUM PEAKS: 6
1558 93.03366 11976.0 1558 93.03366 11976.0
1559 111.04436 1112660.0 1559 111.04436 1112660.0
1560 153.09126 254920.0 1560 153.09126 254920.0
1561 168.06589 785437.0 1561 168.06589 785437.0
1562 199.97662 26875.0 1562 199.97662 26875.0
1563 210.11256 38244.0 1563 210.11256 38244.0
1564 1564
1565 SCANNUMBER: 4942 1565 SCANNUMBER: 4942
1566 PRECURSORTYPE: [M+H]+
1567 IONMODE: Positive 1566 IONMODE: Positive
1568 SPECTRUMTYPE: Centroid 1567 SPECTRUMTYPE: Centroid
1569 FORMULA: C12H16N2OCl2 1568 FORMULA: C12H16N2OCl2
1570 INCHIKEY: CCGPUGMWYLICGL-UHFFFAOYSA-N 1569 INCHIKEY: CCGPUGMWYLICGL-UHFFFAOYSA-N
1571 INCHI: 1570 INCHI:
1572 SMILES: CCCCN(C(=Nc1ccc(c(c1)Cl)Cl)O)C 1571 SMILES: CCCCN(C(=Nc1ccc(c(c1)Cl)Cl)O)C
1573 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1572 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1574 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1573 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1575 INSTRUMENTTYPE: LC-ESI-Orbitrap
1576 IONIZATION: ESI+ 1574 IONIZATION: ESI+
1577 LICENSE: CC BY-NC 1575 LICENSE: CC BY-NC
1578 COMMENT: 1576 COMMENT:
1579 COMPOUND_NAME: Neburon 1577 COMPOUND_NAME: Neburon
1580 RETENTION_TIME: 6.834164 1578 RETENTION_TIME: 6.834164
1581 PRECURSOR_MZ: 275.0721 1579 PRECURSOR_MZ: 275.0721
1582 COLLISION_ENERGY: 1580 ADDUCT: [M+H]+
1581 COLLISION_ENERGY:
1582 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1583 NUM PEAKS: 12 1583 NUM PEAKS: 12
1584 88.11217 614563.0 1584 88.11217 614563.0
1585 114.09161 31817.0 1585 114.09161 31817.0
1586 123.99487 30163.0 1586 123.99487 30163.0
1587 125.00258 66386.0 1587 125.00258 66386.0
1593 172.9666 45053.0 1593 172.9666 45053.0
1594 173.50816 20256.0 1594 173.50816 20256.0
1595 187.96652 106090.0 1595 187.96652 106090.0
1596 1596
1597 SCANNUMBER: 1410 1597 SCANNUMBER: 1410
1598 PRECURSORTYPE: [M+H]+
1599 IONMODE: Positive 1598 IONMODE: Positive
1600 SPECTRUMTYPE: Centroid 1599 SPECTRUMTYPE: Centroid
1601 FORMULA: C11H18N4O2 1600 FORMULA: C11H18N4O2
1602 INCHIKEY: YFGYUFNIOHWBOB-UHFFFAOYSA-N 1601 INCHIKEY: YFGYUFNIOHWBOB-UHFFFAOYSA-N
1603 INCHI: 1602 INCHI:
1604 SMILES: CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C 1603 SMILES: CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C
1605 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1604 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1606 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1605 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1607 INSTRUMENTTYPE: LC-ESI-Orbitrap
1608 IONIZATION: ESI+ 1606 IONIZATION: ESI+
1609 LICENSE: CC BY-NC 1607 LICENSE: CC BY-NC
1610 COMMENT: 1608 COMMENT:
1611 COMPOUND_NAME: Pirimicarb 1609 COMPOUND_NAME: Pirimicarb
1612 RETENTION_TIME: 2.886323 1610 RETENTION_TIME: 2.886323
1613 PRECURSOR_MZ: 239.1508 1611 PRECURSOR_MZ: 239.1508
1614 COLLISION_ENERGY: 1612 ADDUCT: [M+H]+
1613 COLLISION_ENERGY:
1614 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1615 NUM PEAKS: 16 1615 NUM PEAKS: 16
1616 85.07622 1062158.0 1616 85.07622 1062158.0
1617 94.05271 17085.0 1617 94.05271 17085.0
1618 109.07641 1234692.0 1618 109.07641 1234692.0
1619 123.0557 18419.0 1619 123.0557 18419.0
1629 180.11363 53047.0 1629 180.11363 53047.0
1630 182.12914 1046026.0 1630 182.12914 1046026.0
1631 195.16029 68565.0 1631 195.16029 68565.0
1632 1632
1633 SCANNUMBER: 3089 1633 SCANNUMBER: 3089
1634 PRECURSORTYPE: [M+H]+
1635 IONMODE: Positive 1634 IONMODE: Positive
1636 SPECTRUMTYPE: Centroid 1635 SPECTRUMTYPE: Centroid
1637 FORMULA: C12H17NO2 1636 FORMULA: C12H17NO2
1638 INCHIKEY: DTAPQAJKAFRNJB-UHFFFAOYSA-N 1637 INCHIKEY: DTAPQAJKAFRNJB-UHFFFAOYSA-N
1639 INCHI: 1638 INCHI:
1640 SMILES: CN=C(Oc1cc(C)cc(c1)C(C)C)O 1639 SMILES: CN=C(Oc1cc(C)cc(c1)C(C)C)O
1641 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1640 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1642 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1641 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1643 INSTRUMENTTYPE: LC-ESI-Orbitrap
1644 IONIZATION: ESI+ 1642 IONIZATION: ESI+
1645 LICENSE: CC BY-NC 1643 LICENSE: CC BY-NC
1646 COMMENT: 1644 COMMENT:
1647 COMPOUND_NAME: Promecarb 1645 COMPOUND_NAME: Promecarb
1648 RETENTION_TIME: 5.65392 1646 RETENTION_TIME: 5.65392
1649 PRECURSOR_MZ: 208.1339 1647 PRECURSOR_MZ: 208.1339
1650 COLLISION_ENERGY: 1648 ADDUCT: [M+H]+
1649 COLLISION_ENERGY:
1650 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1651 NUM PEAKS: 3 1651 NUM PEAKS: 3
1652 109.0651 1911986.0 1652 109.0651 1911986.0
1653 151.1118 3833728.0 1653 151.1118 3833728.0
1654 208.13309 173991.0 1654 208.13309 173991.0
1655 1655
1656 SCANNUMBER: 2984 1656 SCANNUMBER: 2984
1657 PRECURSORTYPE: [M+H]+
1658 IONMODE: Positive 1657 IONMODE: Positive
1659 SPECTRUMTYPE: Centroid 1658 SPECTRUMTYPE: Centroid
1660 FORMULA: C9H17N5S 1659 FORMULA: C9H17N5S
1661 INCHIKEY: RQVYBGPQFYCBGX-UHFFFAOYSA-N 1660 INCHIKEY: RQVYBGPQFYCBGX-UHFFFAOYSA-N
1662 INCHI: 1661 INCHI:
1663 SMILES: CCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1 1662 SMILES: CCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1
1664 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1663 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1665 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1664 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1666 INSTRUMENTTYPE: LC-ESI-Orbitrap
1667 IONIZATION: ESI+ 1665 IONIZATION: ESI+
1668 LICENSE: CC BY-NC 1666 LICENSE: CC BY-NC
1669 COMMENT: 1667 COMMENT:
1670 COMPOUND_NAME: Ametryn 1668 COMPOUND_NAME: Ametryn
1671 RETENTION_TIME: 4.38309 1669 RETENTION_TIME: 4.38309
1672 PRECURSOR_MZ: 228.1282 1670 PRECURSOR_MZ: 228.1282
1673 COLLISION_ENERGY: 1671 ADDUCT: [M+H]+
1672 COLLISION_ENERGY:
1673 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1674 NUM PEAKS: 15 1674 NUM PEAKS: 15
1675 85.05116 494786.0 1675 85.05116 494786.0
1676 91.03273 2410460.0 1676 91.03273 2410460.0
1677 96.05421 57071.0 1677 96.05421 57071.0
1678 96.05572 4102907.0 1678 96.05572 4102907.0
1687 184.06534 61690.0 1687 184.06534 61690.0
1688 186.08095 4152044.0 1688 186.08095 4152044.0
1689 228.12772 94575.0 1689 228.12772 94575.0
1690 1690
1691 SCANNUMBER: 7002 1691 SCANNUMBER: 7002
1692 PRECURSORTYPE: [M+H]+
1693 IONMODE: Positive 1692 IONMODE: Positive
1694 SPECTRUMTYPE: Centroid 1693 SPECTRUMTYPE: Centroid
1695 FORMULA: C22H17N3O5 1694 FORMULA: C22H17N3O5
1696 INCHIKEY: WFDXOXNFNRHQEC-UHFFFAOYSA-N 1695 INCHIKEY: WFDXOXNFNRHQEC-UHFFFAOYSA-N
1697 INCHI: 1696 INCHI:
1698 SMILES: COC=C(c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)C(=O)OC 1697 SMILES: COC=C(c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)C(=O)OC
1699 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1698 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1700 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1699 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1701 INSTRUMENTTYPE: LC-ESI-Orbitrap
1702 IONIZATION: ESI+ 1700 IONIZATION: ESI+
1703 LICENSE: CC BY-NC 1701 LICENSE: CC BY-NC
1704 COMMENT: 1702 COMMENT:
1705 COMPOUND_NAME: Azoxystrobin 1703 COMPOUND_NAME: Azoxystrobin
1706 RETENTION_TIME: 6.9269 1704 RETENTION_TIME: 6.9269
1707 PRECURSOR_MZ: 404.1249 1705 PRECURSOR_MZ: 404.1249
1708 COLLISION_ENERGY: 1706 ADDUCT: [M+H]+
1707 COLLISION_ENERGY:
1708 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1709 NUM PEAKS: 46 1709 NUM PEAKS: 46
1710 120.04499 298934.0 1710 120.04499 298934.0
1711 129.04543 475852.0 1711 129.04543 475852.0
1712 130.0406 263606.0 1712 130.0406 263606.0
1713 133.05293 386291.0 1713 133.05293 386291.0
1753 329.08087 15964814.0 1753 329.08087 15964814.0
1754 344.10461 2718360.0 1754 344.10461 2718360.0
1755 372.10004 167044.0 1755 372.10004 167044.0
1756 1756
1757 SCANNUMBER: 7850 1757 SCANNUMBER: 7850
1758 PRECURSORTYPE: [M+H]+
1759 IONMODE: Positive 1758 IONMODE: Positive
1760 SPECTRUMTYPE: Centroid 1759 SPECTRUMTYPE: Centroid
1761 FORMULA: C20H23NO3 1760 FORMULA: C20H23NO3
1762 INCHIKEY: CJPQIRJHIZUAQP-INIZCTEOSA-N 1761 INCHIKEY: CJPQIRJHIZUAQP-INIZCTEOSA-N
1763 INCHI: 1762 INCHI:
1764 SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C 1763 SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C
1765 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1764 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1766 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1765 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1767 INSTRUMENTTYPE: LC-ESI-Orbitrap
1768 IONIZATION: ESI+ 1766 IONIZATION: ESI+
1769 LICENSE: CC BY-NC 1767 LICENSE: CC BY-NC
1770 COMMENT: 1768 COMMENT:
1771 COMPOUND_NAME: Benalaxyl 1769 COMPOUND_NAME: Benalaxyl
1772 RETENTION_TIME: 7.079875 1770 RETENTION_TIME: 7.079875
1773 PRECURSOR_MZ: 326.1756 1771 PRECURSOR_MZ: 326.1756
1774 COLLISION_ENERGY: 1772 ADDUCT: [M+H]+
1773 COLLISION_ENERGY:
1774 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1775 NUM PEAKS: 8 1775 NUM PEAKS: 8
1776 91.05441 11560916.0 1776 91.05441 11560916.0
1777 105.0702 367839.0 1777 105.0702 367839.0
1778 106.06546 647312.0 1778 106.06546 647312.0
1779 120.081 385637.0 1779 120.081 385637.0
1781 122.09673 517871.0 1781 122.09673 517871.0
1782 133.08878 546024.0 1782 133.08878 546024.0
1783 148.11217 23207426.0 1783 148.11217 23207426.0
1784 1784
1785 SCANNUMBER: 6328 1785 SCANNUMBER: 6328
1786 PRECURSORTYPE: [M+H]+
1787 IONMODE: Positive 1786 IONMODE: Positive
1788 SPECTRUMTYPE: Centroid 1787 SPECTRUMTYPE: Centroid
1789 FORMULA: C18H12N2OCl2 1788 FORMULA: C18H12N2OCl2
1790 INCHIKEY: WYEMLYFITZORAB-UHFFFAOYSA-N 1789 INCHIKEY: WYEMLYFITZORAB-UHFFFAOYSA-N
1791 INCHI: 1790 INCHI:
1792 SMILES: Clc1ccc(cc1)c1ccccc1N=C(c1cccnc1Cl)O 1791 SMILES: Clc1ccc(cc1)c1ccccc1N=C(c1cccnc1Cl)O
1793 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1792 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1794 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1793 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1795 INSTRUMENTTYPE: LC-ESI-Orbitrap
1796 IONIZATION: ESI+ 1794 IONIZATION: ESI+
1797 LICENSE: CC BY-NC 1795 LICENSE: CC BY-NC
1798 COMMENT: 1796 COMMENT:
1799 COMPOUND_NAME: Boscalid 1797 COMPOUND_NAME: Boscalid
1800 RETENTION_TIME: 6.811709 1798 RETENTION_TIME: 6.811709
1801 PRECURSOR_MZ: 343.0408 1799 PRECURSOR_MZ: 343.0408
1802 COLLISION_ENERGY: 1800 ADDUCT: [M+H]+
1801 COLLISION_ENERGY:
1802 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1803 NUM PEAKS: 27 1803 NUM PEAKS: 27
1804 96.04461 588528.0 1804 96.04461 588528.0
1805 111.99506 131288.0 1805 111.99506 131288.0
1806 112.03961 562594.0 1806 112.03961 562594.0
1807 114.01087 183518.0 1807 114.01087 183518.0
1828 305.04871 107573.0 1828 305.04871 107573.0
1829 306.05643 72921.0 1829 306.05643 72921.0
1830 307.06335 2958245.0 1830 307.06335 2958245.0
1831 1831
1832 SCANNUMBER: 2756 1832 SCANNUMBER: 2756
1833 PRECURSORTYPE: [M+H]+
1834 IONMODE: Positive 1833 IONMODE: Positive
1835 SPECTRUMTYPE: Centroid 1834 SPECTRUMTYPE: Centroid
1836 FORMULA: C12H16N2O3 1835 FORMULA: C12H16N2O3
1837 INCHIKEY: AMRQXHFXNZFDCH-VIFPVBQESA-N 1836 INCHIKEY: AMRQXHFXNZFDCH-VIFPVBQESA-N
1838 INCHI: 1837 INCHI:
1839 SMILES: CCN=C(C(OC(=Nc1ccccc1)O)C)O 1838 SMILES: CCN=C(C(OC(=Nc1ccccc1)O)C)O
1840 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1839 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1841 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1840 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1842 INSTRUMENTTYPE: LC-ESI-Orbitrap
1843 IONIZATION: ESI+ 1841 IONIZATION: ESI+
1844 LICENSE: CC BY-NC 1842 LICENSE: CC BY-NC
1845 COMMENT: 1843 COMMENT:
1846 COMPOUND_NAME: Carbetamide 1844 COMPOUND_NAME: Carbetamide
1847 RETENTION_TIME: 3.923062 1845 RETENTION_TIME: 3.923062
1848 PRECURSOR_MZ: 237.1238 1846 PRECURSOR_MZ: 237.1238
1849 COLLISION_ENERGY: 1847 ADDUCT: [M+H]+
1848 COLLISION_ENERGY:
1849 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1850 NUM PEAKS: 12 1850 NUM PEAKS: 12
1851 85.07622 86855.0 1851 85.07622 86855.0
1852 100.07591 86451.0 1852 100.07591 86451.0
1853 118.08654 1614784.0 1853 118.08654 1614784.0
1854 120.04464 757563.0 1854 120.04464 757563.0
1860 237.07993 102575.0 1860 237.07993 102575.0
1861 237.09068 314588.0 1861 237.09068 314588.0
1862 237.12401 187935.0 1862 237.12401 187935.0
1863 1863
1864 SCANNUMBER: 6914 1864 SCANNUMBER: 6914
1865 PRECURSORTYPE: [M+H]+
1866 IONMODE: Positive 1865 IONMODE: Positive
1867 SPECTRUMTYPE: Centroid 1866 SPECTRUMTYPE: Centroid
1868 FORMULA: C15H14N3O3Cl2F3 1867 FORMULA: C15H14N3O3Cl2F3
1869 INCHIKEY: MLKCGVHIFJBRCD-JTQLQIEISA-N 1868 INCHIKEY: MLKCGVHIFJBRCD-JTQLQIEISA-N
1870 INCHI: 1869 INCHI:
1871 SMILES: CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl 1870 SMILES: CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl
1872 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1871 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1873 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1872 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1874 INSTRUMENTTYPE: LC-ESI-Orbitrap
1875 IONIZATION: ESI+ 1873 IONIZATION: ESI+
1876 LICENSE: CC BY-NC 1874 LICENSE: CC BY-NC
1877 COMMENT: 1875 COMMENT:
1878 COMPOUND_NAME: Carfentrazone ethyl 1876 COMPOUND_NAME: Carfentrazone ethyl
1879 RETENTION_TIME: 6.898515 1877 RETENTION_TIME: 6.898515
1880 PRECURSOR_MZ: 412.045 1878 PRECURSOR_MZ: 412.045
1881 COLLISION_ENERGY: 1879 ADDUCT: [M+H]+
1880 COLLISION_ENERGY:
1881 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1882 NUM PEAKS: 75 1882 NUM PEAKS: 75
1883 87.03558 102938.0 1883 87.03558 102938.0
1884 92.03108 108928.0 1884 92.03108 108928.0
1885 140.99028 93612.0 1885 140.99028 93612.0
1886 168.00159 290200.0 1886 168.00159 290200.0
1955 320.04153 58056.0 1955 320.04153 58056.0
1956 338.00775 410316.0 1956 338.00775 410316.0
1957 345.99677 2618042.0 1957 345.99677 2618042.0
1958 1958
1959 SCANNUMBER: 5260 1959 SCANNUMBER: 5260
1960 PRECURSORTYPE: [M+H]+
1961 IONMODE: Positive 1960 IONMODE: Positive
1962 SPECTRUMTYPE: Centroid 1961 SPECTRUMTYPE: Centroid
1963 FORMULA: C18H14N5O2BrCl2 1962 FORMULA: C18H14N5O2BrCl2
1964 INCHIKEY: PSOVNZZNOMJUBI-UHFFFAOYSA-N 1963 INCHIKEY: PSOVNZZNOMJUBI-UHFFFAOYSA-N
1965 INCHI: 1964 INCHI:
1966 SMILES: CN=C(c1cc(C)cc(c1N=C(c1cc(nn1c1ncccc1Cl)Br)O)Cl)O 1965 SMILES: CN=C(c1cc(C)cc(c1N=C(c1cc(nn1c1ncccc1Cl)Br)O)Cl)O
1967 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1966 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1968 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1967 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1969 INSTRUMENTTYPE: LC-ESI-Orbitrap
1970 IONIZATION: ESI+ 1968 IONIZATION: ESI+
1971 LICENSE: CC BY-NC 1969 LICENSE: CC BY-NC
1972 COMMENT: 1970 COMMENT:
1973 COMPOUND_NAME: Chlorantraniliprole 1971 COMPOUND_NAME: Chlorantraniliprole
1974 RETENTION_TIME: 6.589343 1972 RETENTION_TIME: 6.589343
1975 PRECURSOR_MZ: 481.9785 1973 PRECURSOR_MZ: 481.9785
1976 COLLISION_ENERGY: 1974 ADDUCT: [M+H]+
1975 COLLISION_ENERGY:
1976 INSTRUMENT_TYPE: LC-ESI-Orbitrap
1977 NUM PEAKS: 4 1977 NUM PEAKS: 4
1978 283.92297 5735542.0 1978 283.92297 5735542.0
1979 450.93774 4907420.0 1979 450.93774 4907420.0
1980 463.96796 71876.0 1980 463.96796 71876.0
1981 481.97949 1501231.0 1981 481.97949 1501231.0
1982 1982
1983 SCANNUMBER: 9818 1983 SCANNUMBER: 9818
1984 PRECURSORTYPE: [M+H]+
1985 IONMODE: Positive 1984 IONMODE: Positive
1986 SPECTRUMTYPE: Centroid 1985 SPECTRUMTYPE: Centroid
1987 FORMULA: C14H8N4Cl2 1986 FORMULA: C14H8N4Cl2
1988 INCHIKEY: UXADOQPNKNTIHB-UHFFFAOYSA-N 1987 INCHIKEY: UXADOQPNKNTIHB-UHFFFAOYSA-N
1989 INCHI: 1988 INCHI:
1990 SMILES: Clc1ccccc1c1nnc(nn1)c1ccccc1Cl 1989 SMILES: Clc1ccccc1c1nnc(nn1)c1ccccc1Cl
1991 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 1990 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
1992 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 1991 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
1993 INSTRUMENTTYPE: LC-ESI-Orbitrap
1994 IONIZATION: ESI+ 1992 IONIZATION: ESI+
1995 LICENSE: CC BY-NC 1993 LICENSE: CC BY-NC
1996 COMMENT: 1994 COMMENT:
1997 COMPOUND_NAME: Clofentezine 1995 COMPOUND_NAME: Clofentezine
1998 RETENTION_TIME: 7.397017 1996 RETENTION_TIME: 7.397017
1999 PRECURSOR_MZ: 303.0207 1997 PRECURSOR_MZ: 303.0207
2000 COLLISION_ENERGY: 1998 ADDUCT: [M+H]+
1999 COLLISION_ENERGY:
2000 INSTRUMENT_TYPE: LC-ESI-Orbitrap
2001 NUM PEAKS: 5 2001 NUM PEAKS: 5
2002 92.0498 44376.0 2002 92.0498 44376.0
2003 102.03414 382179.0 2003 102.03414 382179.0
2004 120.04463 495630.0 2004 120.04463 495630.0
2005 130.04021 2783936.0 2005 130.04021 2783936.0
2006 138.01057 2494447.0 2006 138.01057 2494447.0
2007 2007
2008 SCANNUMBER: 5584 2008 SCANNUMBER: 5584
2009 PRECURSORTYPE: [M+H]+
2010 IONMODE: Positive 2009 IONMODE: Positive
2011 SPECTRUMTYPE: Centroid 2010 SPECTRUMTYPE: Centroid
2012 FORMULA: C14H15N3 2011 FORMULA: C14H15N3
2013 INCHIKEY: HAORKNGNJCEJBX-UHFFFAOYSA-N 2012 INCHIKEY: HAORKNGNJCEJBX-UHFFFAOYSA-N
2014 INCHI: 2013 INCHI:
2015 SMILES: Cc1nc(Nc2ccccc2)nc(c1)C1CC1 2014 SMILES: Cc1nc(Nc2ccccc2)nc(c1)C1CC1
2016 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 2015 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
2017 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 2016 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
2018 INSTRUMENTTYPE: LC-ESI-Orbitrap
2019 IONIZATION: ESI+ 2017 IONIZATION: ESI+
2020 LICENSE: CC BY-NC 2018 LICENSE: CC BY-NC
2021 COMMENT: 2019 COMMENT:
2022 COMPOUND_NAME: Cyprodinil 2020 COMPOUND_NAME: Cyprodinil
2023 RETENTION_TIME: 6.669806 2021 RETENTION_TIME: 6.669806
2024 PRECURSOR_MZ: 226.1346 2022 PRECURSOR_MZ: 226.1346
2025 COLLISION_ENERGY: 2023 ADDUCT: [M+H]+
2024 COLLISION_ENERGY:
2025 INSTRUMENT_TYPE: LC-ESI-Orbitrap
2026 NUM PEAKS: 68 2026 NUM PEAKS: 68
2027 89.03882 250501.0 2027 89.03882 250501.0
2028 91.05441 2917894.0 2028 91.05441 2917894.0
2029 92.0498 1832571.0 2029 92.0498 1832571.0
2030 92.06236 327913.0 2030 92.06236 327913.0
2092 211.11086 699261.0 2092 211.11086 699261.0
2093 224.1181 912227.0 2093 224.1181 912227.0
2094 226.13422 16374867.0 2094 226.13422 16374867.0
2095 2095
2096 SCANNUMBER: 614 2096 SCANNUMBER: 614
2097 PRECURSORTYPE: [M+H]+
2098 IONMODE: Positive 2097 IONMODE: Positive
2099 SPECTRUMTYPE: Centroid 2098 SPECTRUMTYPE: Centroid
2100 FORMULA: C6H10N6 2099 FORMULA: C6H10N6
2101 INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N 2100 INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N
2102 INCHI: 2101 INCHI:
2103 SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1 2102 SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1
2104 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 2103 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
2105 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 2104 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
2106 INSTRUMENTTYPE: LC-ESI-Orbitrap
2107 IONIZATION: ESI+ 2105 IONIZATION: ESI+
2108 LICENSE: CC BY-NC 2106 LICENSE: CC BY-NC
2109 COMMENT: 2107 COMMENT:
2110 COMPOUND_NAME: Cyromazine_1 2108 COMPOUND_NAME: Cyromazine_1
2111 RETENTION_TIME: 0.7250975 2109 RETENTION_TIME: 0.7250975
2112 PRECURSOR_MZ: 167.1043 2110 PRECURSOR_MZ: 167.1043
2113 COLLISION_ENERGY: 2111 ADDUCT: [M+H]+
2112 COLLISION_ENERGY:
2113 INSTRUMENT_TYPE: LC-ESI-Orbitrap
2114 NUM PEAKS: 9 2114 NUM PEAKS: 9
2115 85.05116 569181.0 2115 85.05116 569181.0
2116 108.05576 364390.0 2116 108.05576 364390.0
2117 110.0462 49797.0 2117 110.0462 49797.0
2118 125.08251 178192.0 2118 125.08251 178192.0
2121 150.0777 7345.0 2121 150.0777 7345.0
2122 151.07292 35146.0 2122 151.07292 35146.0
2123 167.10403 54669.0 2123 167.10403 54669.0
2124 2124
2125 SCANNUMBER: 946 2125 SCANNUMBER: 946
2126 PRECURSORTYPE: [M+H]+
2127 IONMODE: Positive 2126 IONMODE: Positive
2128 SPECTRUMTYPE: Centroid 2127 SPECTRUMTYPE: Centroid
2129 FORMULA: C6H10N6 2128 FORMULA: C6H10N6
2130 INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N 2129 INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N
2131 INCHI: 2130 INCHI:
2132 SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1 2131 SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1
2133 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 2132 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
2134 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 2133 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
2135 INSTRUMENTTYPE: LC-ESI-Orbitrap
2136 IONIZATION: ESI+ 2134 IONIZATION: ESI+
2137 LICENSE: CC BY-NC 2135 LICENSE: CC BY-NC
2138 COMMENT: 2136 COMMENT:
2139 COMPOUND_NAME: Cyromazine_2 2137 COMPOUND_NAME: Cyromazine_2
2140 RETENTION_TIME: 1.057777 2138 RETENTION_TIME: 1.057777
2141 PRECURSOR_MZ: 167.1043 2139 PRECURSOR_MZ: 167.1043
2142 COLLISION_ENERGY: 2140 ADDUCT: [M+H]+
2141 COLLISION_ENERGY:
2142 INSTRUMENT_TYPE: LC-ESI-Orbitrap
2143 NUM PEAKS: 12 2143 NUM PEAKS: 12
2144 85.05095 323769.0 2144 85.05095 323769.0
2145 100.08693 5287.0 2145 100.08693 5287.0
2146 108.05576 223896.0 2146 108.05576 223896.0
2147 110.0462 30873.0 2147 110.0462 30873.0
2153 151.07292 16833.0 2153 151.07292 16833.0
2154 155.01868 3272.0 2154 155.01868 3272.0
2155 167.10403 33800.0 2155 167.10403 33800.0
2156 2156
2157 SCANNUMBER: 7508 2157 SCANNUMBER: 7508
2158 PRECURSORTYPE: [M+H]+
2159 IONMODE: Positive 2158 IONMODE: Positive
2160 SPECTRUMTYPE: Centroid 2159 SPECTRUMTYPE: Centroid
2161 FORMULA: C19H22N2O3 2160 FORMULA: C19H22N2O3
2162 INCHIKEY: WXUZAHCNPWONDH-UHFFFAOYSA-N 2161 INCHIKEY: WXUZAHCNPWONDH-UHFFFAOYSA-N
2163 INCHI: 2162 INCHI:
2164 SMILES: CON=C(c1ccccc1COc1cc(C)ccc1C)C(=NC)O 2163 SMILES: CON=C(c1ccccc1COc1cc(C)ccc1C)C(=NC)O
2165 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 2164 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
2166 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 2165 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
2167 INSTRUMENTTYPE: LC-ESI-Orbitrap
2168 IONIZATION: ESI+ 2166 IONIZATION: ESI+
2169 LICENSE: CC BY-NC 2167 LICENSE: CC BY-NC
2170 COMMENT: 2168 COMMENT:
2171 COMPOUND_NAME: Dimoxystrobin 2169 COMPOUND_NAME: Dimoxystrobin
2172 RETENTION_TIME: 7.042906 2170 RETENTION_TIME: 7.042906
2173 PRECURSOR_MZ: 327.1716 2171 PRECURSOR_MZ: 327.1716
2174 COLLISION_ENERGY: 2172 ADDUCT: [M+H]+
2173 COLLISION_ENERGY:
2174 INSTRUMENT_TYPE: LC-ESI-Orbitrap
2175 NUM PEAKS: 25 2175 NUM PEAKS: 25
2176 89.03882 267042.0 2176 89.03882 267042.0
2177 91.05465 1177860.0 2177 91.05465 1177860.0
2178 92.05786 587003.0 2178 92.05786 587003.0
2179 106.06546 63219.0 2179 106.06546 63219.0
2198 222.09152 46935.0 2198 222.09152 46935.0
2199 222.10396 66419.0 2199 222.10396 66419.0
2200 223.09956 719508.0 2200 223.09956 719508.0
2201 2201
2202 SCANNUMBER: 11226 2202 SCANNUMBER: 11226
2203 PRECURSORTYPE: [M+H]+
2204 IONMODE: Positive 2203 IONMODE: Positive
2205 SPECTRUMTYPE: Centroid 2204 SPECTRUMTYPE: Centroid
2206 FORMULA: C20H22N2O 2205 FORMULA: C20H22N2O
2207 INCHIKEY: DMYHGDXADUDKCQ-UHFFFAOYSA-N 2206 INCHIKEY: DMYHGDXADUDKCQ-UHFFFAOYSA-N
2208 INCHI: 2207 INCHI:
2209 SMILES: CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C 2208 SMILES: CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C
2210 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 2209 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
2211 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 2210 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
2212 INSTRUMENTTYPE: LC-ESI-Orbitrap
2213 IONIZATION: ESI+ 2211 IONIZATION: ESI+
2214 LICENSE: CC BY-NC 2212 LICENSE: CC BY-NC
2215 COMMENT: 2213 COMMENT:
2216 COMPOUND_NAME: Fenazaquin 2214 COMPOUND_NAME: Fenazaquin
2217 RETENTION_TIME: 7.977267 2215 RETENTION_TIME: 7.977267
2218 PRECURSOR_MZ: 307.1813 2216 PRECURSOR_MZ: 307.1813
2219 COLLISION_ENERGY: 2217 ADDUCT: [M+H]+
2218 COLLISION_ENERGY:
2219 INSTRUMENT_TYPE: LC-ESI-Orbitrap
2220 NUM PEAKS: 14 2220 NUM PEAKS: 14
2221 91.05441 199112.0 2221 91.05441 199112.0
2222 103.05439 73599.0 2222 103.05439 73599.0
2223 104.04984 64148.0 2223 104.04984 64148.0
2224 105.0702 917430.0 2224 105.0702 917430.0
2232 146.10915 4833104.0 2232 146.10915 4833104.0
2233 147.05551 4215618.0 2233 147.05551 4215618.0
2234 161.13255 3701806.0 2234 161.13255 3701806.0
2235 2235
2236 SCANNUMBER: 5614 2236 SCANNUMBER: 5614
2237 PRECURSORTYPE: [M+H]+
2238 IONMODE: Positive 2237 IONMODE: Positive
2239 SPECTRUMTYPE: Centroid 2238 SPECTRUMTYPE: Centroid
2240 FORMULA: C14H17NO2Cl2 2239 FORMULA: C14H17NO2Cl2
2241 INCHIKEY: VDLGAVXLJYLFDH-UHFFFAOYSA-N 2240 INCHIKEY: VDLGAVXLJYLFDH-UHFFFAOYSA-N
2242 INCHI: 2241 INCHI:
2243 SMILES: OC(=Nc1ccc(c(c1Cl)Cl)O)C1(C)CCCCC1 2242 SMILES: OC(=Nc1ccc(c(c1Cl)Cl)O)C1(C)CCCCC1
2244 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 2243 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
2245 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 2244 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
2246 INSTRUMENTTYPE: LC-ESI-Orbitrap
2247 IONIZATION: ESI+ 2245 IONIZATION: ESI+
2248 LICENSE: CC BY-NC 2246 LICENSE: CC BY-NC
2249 COMMENT: 2247 COMMENT:
2250 COMPOUND_NAME: Fenhexamid 2248 COMPOUND_NAME: Fenhexamid
2251 RETENTION_TIME: 6.679342 2249 RETENTION_TIME: 6.679342
2252 PRECURSOR_MZ: 302.0717 2250 PRECURSOR_MZ: 302.0717
2253 COLLISION_ENERGY: 2251 ADDUCT: [M+H]+
2252 COLLISION_ENERGY:
2253 INSTRUMENT_TYPE: LC-ESI-Orbitrap
2254 NUM PEAKS: 6 2254 NUM PEAKS: 6
2255 95.01299 111399.0 2255 95.01299 111399.0
2256 97.10134 4001007.0 2256 97.10134 4001007.0
2257 142.00574 470488.0 2257 142.00574 470488.0
2258 143.0134 1124724.0 2258 143.0134 1124724.0
2259 177.98218 162637.0 2259 177.98218 162637.0
2260 302.0708 49250.0 2260 302.0708 49250.0
2261 2261
2262 SCANNUMBER: 10879 2262 SCANNUMBER: 10879
2263 PRECURSORTYPE: [M+H]+
2264 IONMODE: Positive 2263 IONMODE: Positive
2265 SPECTRUMTYPE: Centroid 2264 SPECTRUMTYPE: Centroid
2266 FORMULA: C24H27N3O4 2265 FORMULA: C24H27N3O4
2267 INCHIKEY: YYJNOYZRYGDPNH-UHFFFAOYSA-N 2266 INCHIKEY: YYJNOYZRYGDPNH-UHFFFAOYSA-N
2268 INCHI: 2267 INCHI:
2269 SMILES: Cc1nn(c(c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C 2268 SMILES: Cc1nn(c(c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C
2270 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 2269 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
2271 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 2270 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
2272 INSTRUMENTTYPE: LC-ESI-Orbitrap
2273 IONIZATION: ESI+ 2271 IONIZATION: ESI+
2274 LICENSE: CC BY-NC 2272 LICENSE: CC BY-NC
2275 COMMENT: 2273 COMMENT:
2276 COMPOUND_NAME: Fenpyroximate 2274 COMPOUND_NAME: Fenpyroximate
2277 RETENTION_TIME: 7.825895 2275 RETENTION_TIME: 7.825895
2278 PRECURSOR_MZ: 422.2081 2276 PRECURSOR_MZ: 422.2081
2279 COLLISION_ENERGY: 2277 ADDUCT: [M+H]+
2278 COLLISION_ENERGY:
2279 INSTRUMENT_TYPE: LC-ESI-Orbitrap
2280 NUM PEAKS: 90 2280 NUM PEAKS: 90
2281 91.04206 117996.0 2281 91.04206 117996.0
2282 91.05465 106024.0 2282 91.05465 106024.0
2283 92.0498 87696.0 2283 92.0498 87696.0
2284 93.05774 260654.0 2284 93.05774 260654.0
2368 230.09335 285190.0 2368 230.09335 285190.0
2369 231.10078 772223.0 2369 231.10078 772223.0
2370 366.14682 271014.0 2370 366.14682 271014.0
2371 2371
2372 SCANNUMBER: 1609 2372 SCANNUMBER: 1609
2373 PRECURSORTYPE: [M+H]+
2374 IONMODE: Positive 2373 IONMODE: Positive
2375 SPECTRUMTYPE: Centroid 2374 SPECTRUMTYPE: Centroid
2376 FORMULA: C9H6N3OF3 2375 FORMULA: C9H6N3OF3
2377 INCHIKEY: RLQJEEJISHYWON-UHFFFAOYSA-N 2376 INCHIKEY: RLQJEEJISHYWON-UHFFFAOYSA-N
2378 INCHI: 2377 INCHI:
2379 SMILES: N#CCN=C(c1cnccc1C(F)(F)F)O 2378 SMILES: N#CCN=C(c1cnccc1C(F)(F)F)O
2380 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 2379 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
2381 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 2380 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
2382 INSTRUMENTTYPE: LC-ESI-Orbitrap
2383 IONIZATION: ESI+ 2381 IONIZATION: ESI+
2384 LICENSE: CC BY-NC 2382 LICENSE: CC BY-NC
2385 COMMENT: 2383 COMMENT:
2386 COMPOUND_NAME: Flonicamid 2384 COMPOUND_NAME: Flonicamid
2387 RETENTION_TIME: 1.603478 2385 RETENTION_TIME: 1.603478
2388 PRECURSOR_MZ: 230.054 2386 PRECURSOR_MZ: 230.054
2389 COLLISION_ENERGY: 2387 ADDUCT: [M+H]+
2388 COLLISION_ENERGY:
2389 INSTRUMENT_TYPE: LC-ESI-Orbitrap
2390 NUM PEAKS: 22 2390 NUM PEAKS: 22
2391 98.04052 1513015.0 2391 98.04052 1513015.0
2392 101.01998 130358.0 2392 101.01998 130358.0
2393 126.03515 270418.0 2393 126.03515 270418.0
2394 128.0309 1130827.0 2394 128.0309 1130827.0
2410 176.0318 1685318.0 2410 176.0318 1685318.0
2411 183.0369 1014810.0 2411 183.0369 1014810.0
2412 203.04269 761411.0 2412 203.04269 761411.0
2413 2413
2414 SCANNUMBER: 7721 2414 SCANNUMBER: 7721
2415 PRECURSORTYPE: [M+H]+
2416 IONMODE: Positive 2415 IONMODE: Positive
2417 SPECTRUMTYPE: Centroid 2416 SPECTRUMTYPE: Centroid
2418 FORMULA: C21H16N4O5ClF 2417 FORMULA: C21H16N4O5ClF
2419 INCHIKEY: UFEODZBUAFNAEU-UHFFFAOYSA-N 2418 INCHIKEY: UFEODZBUAFNAEU-UHFFFAOYSA-N
2420 INCHI: 2419 INCHI:
2421 SMILES: CON=C(c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)C1=NOCCO1 2420 SMILES: CON=C(c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)C1=NOCCO1
2422 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 2421 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
2423 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 2422 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
2424 INSTRUMENTTYPE: LC-ESI-Orbitrap
2425 IONIZATION: ESI+ 2423 IONIZATION: ESI+
2426 LICENSE: CC BY-NC 2424 LICENSE: CC BY-NC
2427 COMMENT: 2425 COMMENT:
2428 COMPOUND_NAME: Fluoxastrobin 2426 COMPOUND_NAME: Fluoxastrobin
2429 RETENTION_TIME: 7.061409 2427 RETENTION_TIME: 7.061409
2430 PRECURSOR_MZ: 459.0882 2428 PRECURSOR_MZ: 459.0882
2431 COLLISION_ENERGY: 2429 ADDUCT: [M+H]+
2430 COLLISION_ENERGY:
2431 INSTRUMENT_TYPE: LC-ESI-Orbitrap
2432 NUM PEAKS: 85 2432 NUM PEAKS: 85
2433 90.03426 262008.0 2433 90.03426 262008.0
2434 93.0339 81235.0 2434 93.0339 81235.0
2435 95.04953 126363.0 2435 95.04953 126363.0
2436 104.04984 132927.0 2436 104.04984 132927.0
2515 342.04449 118004.0 2515 342.04449 118004.0
2516 367.03973 216560.0 2516 367.03973 216560.0
2517 383.03424 104628.0 2517 383.03424 104628.0
2518 2518
2519 SCANNUMBER: 3979 2519 SCANNUMBER: 3979
2520 PRECURSORTYPE: [M+H]+
2521 IONMODE: Positive 2520 IONMODE: Positive
2522 SPECTRUMTYPE: Centroid 2521 SPECTRUMTYPE: Centroid
2523 FORMULA: C17H16NO2F3 2522 FORMULA: C17H16NO2F3
2524 INCHIKEY: PTCGDEVVHUXTMP-UHFFFAOYSA-N 2523 INCHIKEY: PTCGDEVVHUXTMP-UHFFFAOYSA-N
2525 INCHI: 2524 INCHI:
2526 SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C(F)(F)F)O)C 2525 SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C(F)(F)F)O)C
2527 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 2526 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
2528 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 2527 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
2529 INSTRUMENTTYPE: LC-ESI-Orbitrap
2530 IONIZATION: ESI+ 2528 IONIZATION: ESI+
2531 LICENSE: CC BY-NC 2529 LICENSE: CC BY-NC
2532 COMMENT: 2530 COMMENT:
2533 COMPOUND_NAME: Flutolanil 2531 COMPOUND_NAME: Flutolanil
2534 RETENTION_TIME: 6.193638 2532 RETENTION_TIME: 6.193638
2535 PRECURSOR_MZ: 324.1214 2533 PRECURSOR_MZ: 324.1214
2536 COLLISION_ENERGY: 2534 ADDUCT: [M+H]+
2535 COLLISION_ENERGY:
2536 INSTRUMENT_TYPE: LC-ESI-Orbitrap
2537 NUM PEAKS: 12 2537 NUM PEAKS: 12
2538 111.04436 4020810.0 2538 111.04436 4020810.0
2539 121.03985 3392917.0 2539 121.03985 3392917.0
2540 130.02905 2402830.0 2540 130.02905 2402830.0
2541 145.02599 877135.0 2541 145.02599 877135.0
2547 242.05533 161728.0 2547 242.05533 161728.0
2548 242.06139 15929322.0 2548 242.06139 15929322.0
2549 262.06796 878870.0 2549 262.06796 878870.0
2550 2550
2551 SCANNUMBER: 3970 2551 SCANNUMBER: 3970
2552 PRECURSORTYPE: [M+H]+
2553 IONMODE: Positive 2552 IONMODE: Positive
2554 SPECTRUMTYPE: Centroid 2553 SPECTRUMTYPE: Centroid
2555 FORMULA: C17H19NO4 2554 FORMULA: C17H19NO4
2556 INCHIKEY: CIEXPHRYOLIQQD-ZDUSSCGKSA-N 2555 INCHIKEY: CIEXPHRYOLIQQD-ZDUSSCGKSA-N
2557 INCHI: 2556 INCHI:
2558 SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)c1ccco1)C 2557 SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)c1ccco1)C
2559 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 2558 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
2560 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 2559 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
2561 INSTRUMENTTYPE: LC-ESI-Orbitrap
2562 IONIZATION: ESI+ 2560 IONIZATION: ESI+
2563 LICENSE: CC BY-NC 2561 LICENSE: CC BY-NC
2564 COMMENT: 2562 COMMENT:
2565 COMPOUND_NAME: Furalaxyl 2563 COMPOUND_NAME: Furalaxyl
2566 RETENTION_TIME: 6.193638 2564 RETENTION_TIME: 6.193638
2567 PRECURSOR_MZ: 302.1392 2565 PRECURSOR_MZ: 302.1392
2568 COLLISION_ENERGY: 2566 ADDUCT: [M+H]+
2567 COLLISION_ENERGY:
2568 INSTRUMENT_TYPE: LC-ESI-Orbitrap
2569 NUM PEAKS: 1 2569 NUM PEAKS: 1
2570 95.01299 22120298.0 2570 95.01299 22120298.0
2571 2571
2572 SCANNUMBER: 2732 2572 SCANNUMBER: 2732
2573 PRECURSORTYPE: [M+H]+
2574 IONMODE: Positive 2573 IONMODE: Positive
2575 SPECTRUMTYPE: Centroid 2574 SPECTRUMTYPE: Centroid
2576 FORMULA: C14H14N2OCl2 2575 FORMULA: C14H14N2OCl2
2577 INCHIKEY: PZBPKYOVPCNPJY-AWEZNQCLSA-N 2576 INCHIKEY: PZBPKYOVPCNPJY-AWEZNQCLSA-N
2578 INCHI: 2577 INCHI:
2579 SMILES: C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1 2578 SMILES: C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1
2580 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 2579 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
2581 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 2580 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
2582 INSTRUMENTTYPE: LC-ESI-Orbitrap
2583 IONIZATION: ESI+ 2581 IONIZATION: ESI+
2584 LICENSE: CC BY-NC 2582 LICENSE: CC BY-NC
2585 COMMENT: 2583 COMMENT:
2586 COMPOUND_NAME: Imazalil 2584 COMPOUND_NAME: Imazalil
2587 RETENTION_TIME: 3.913752 2585 RETENTION_TIME: 3.913752
2588 PRECURSOR_MZ: 297.0566 2586 PRECURSOR_MZ: 297.0566
2589 COLLISION_ENERGY: 2587 ADDUCT: [M+H]+
2588 COLLISION_ENERGY:
2589 INSTRUMENT_TYPE: LC-ESI-Orbitrap
2590 NUM PEAKS: 17 2590 NUM PEAKS: 17
2591 102.04659 83349.0 2591 102.04659 83349.0
2592 109.0761 370634.0 2592 109.0761 370634.0
2593 122.99966 169161.0 2593 122.99966 169161.0
2594 129.07021 173674.0 2594 129.07021 173674.0
2605 186.97179 139839.0 2605 186.97179 139839.0
2606 200.98682 142186.0 2606 200.98682 142186.0
2607 255.00883 411510.0 2607 255.00883 411510.0
2608 2608
2609 SCANNUMBER: 2109 2609 SCANNUMBER: 2109
2610 PRECURSORTYPE: [M+H]+
2611 IONMODE: Positive 2610 IONMODE: Positive
2612 SPECTRUMTYPE: Centroid 2611 SPECTRUMTYPE: Centroid
2613 FORMULA: C9H10N5O2Cl 2612 FORMULA: C9H10N5O2Cl
2614 INCHIKEY: YWTYJOPNNQFBPC-UHFFFAOYSA-N 2613 INCHIKEY: YWTYJOPNNQFBPC-UHFFFAOYSA-N
2615 INCHI: 2614 INCHI:
2616 SMILES: O=N(=O)NC1=NCCN1Cc1ccc(nc1)Cl 2615 SMILES: O=N(=O)NC1=NCCN1Cc1ccc(nc1)Cl
2617 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 2616 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
2618 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 2617 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
2619 INSTRUMENTTYPE: LC-ESI-Orbitrap
2620 IONIZATION: ESI+ 2618 IONIZATION: ESI+
2621 LICENSE: CC BY-NC 2619 LICENSE: CC BY-NC
2622 COMMENT: 2620 COMMENT:
2623 COMPOUND_NAME: Imidacloprid 2621 COMPOUND_NAME: Imidacloprid
2624 RETENTION_TIME: 3.079668 2622 RETENTION_TIME: 3.079668
2625 PRECURSOR_MZ: 256.0602 2623 PRECURSOR_MZ: 256.0602
2626 COLLISION_ENERGY: 2624 ADDUCT: [M+H]+
2625 COLLISION_ENERGY:
2626 INSTRUMENT_TYPE: LC-ESI-Orbitrap
2627 NUM PEAKS: 36 2627 NUM PEAKS: 36
2628 99.05553 45726.0 2628 99.05553 45726.0
2629 105.04505 49039.0 2629 105.04505 49039.0
2630 106.06546 54345.0 2630 106.06546 54345.0
2631 107.06065 64812.0 2631 107.06065 64812.0
2661 208.05171 91411.0 2661 208.05171 91411.0
2662 209.05724 1316587.0 2662 209.05724 1316587.0
2663 209.05885 3531093.0 2663 209.05885 3531093.0
2664 2664
2665 SCANNUMBER: 7168 2665 SCANNUMBER: 7168
2666 PRECURSORTYPE: [M+H]+
2667 IONMODE: Positive 2666 IONMODE: Positive
2668 SPECTRUMTYPE: Centroid 2667 SPECTRUMTYPE: Centroid
2669 FORMULA: C23H22NO4Cl 2668 FORMULA: C23H22NO4Cl
2670 INCHIKEY: KWLVWJPJKJMCSH-JOCHJYFZSA-N 2669 INCHIKEY: KWLVWJPJKJMCSH-JOCHJYFZSA-N
2671 INCHI: 2670 INCHI:
2672 SMILES: C#CCOC(c1ccc(cc1)Cl)C(=NCCc1ccc(c(c1)OC)OCC#C)O 2671 SMILES: C#CCOC(c1ccc(cc1)Cl)C(=NCCc1ccc(c(c1)OC)OCC#C)O
2673 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 2672 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
2674 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 2673 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
2675 INSTRUMENTTYPE: LC-ESI-Orbitrap
2676 IONIZATION: ESI+ 2674 IONIZATION: ESI+
2677 LICENSE: CC BY-NC 2675 LICENSE: CC BY-NC
2678 COMMENT: 2676 COMMENT:
2679 COMPOUND_NAME: Mandipropamid 2677 COMPOUND_NAME: Mandipropamid
2680 RETENTION_TIME: 6.964275 2678 RETENTION_TIME: 6.964275
2681 PRECURSOR_MZ: 412.1314 2679 PRECURSOR_MZ: 412.1314
2682 COLLISION_ENERGY: 2680 ADDUCT: [M+H]+
2681 COLLISION_ENERGY:
2682 INSTRUMENT_TYPE: LC-ESI-Orbitrap
2683 NUM PEAKS: 5 2683 NUM PEAKS: 5
2684 204.10207 530532.0 2684 204.10207 530532.0
2685 328.11053 16472820.0 2685 328.11053 16472820.0
2686 356.10495 7175862.0 2686 356.10495 7175862.0
2687 412.04471 215694.0 2687 412.04471 215694.0
2688 412.13226 2828841.0 2688 412.13226 2828841.0
2689 2689
2690 SCANNUMBER: 7089 2690 SCANNUMBER: 7089
2691 PRECURSORTYPE: [M+H]+
2692 IONMODE: Positive 2691 IONMODE: Positive
2693 SPECTRUMTYPE: Centroid 2692 SPECTRUMTYPE: Centroid
2694 FORMULA: C14H13N3 2693 FORMULA: C14H13N3
2695 INCHIKEY: CIFWZNRJIBNXRE-UHFFFAOYSA-N 2694 INCHIKEY: CIFWZNRJIBNXRE-UHFFFAOYSA-N
2696 INCHI: 2695 INCHI:
2697 SMILES: CC#Cc1nc(Nc2ccccc2)nc(c1)C 2696 SMILES: CC#Cc1nc(Nc2ccccc2)nc(c1)C
2698 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 2697 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
2699 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 2698 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
2700 INSTRUMENTTYPE: LC-ESI-Orbitrap
2701 IONIZATION: ESI+ 2699 IONIZATION: ESI+
2702 LICENSE: CC BY-NC 2700 LICENSE: CC BY-NC
2703 COMMENT: 2701 COMMENT:
2704 COMPOUND_NAME: Mepanipyrim 2702 COMPOUND_NAME: Mepanipyrim
2705 RETENTION_TIME: 6.936112 2703 RETENTION_TIME: 6.936112
2706 PRECURSOR_MZ: 224.1185 2704 PRECURSOR_MZ: 224.1185
2707 COLLISION_ENERGY: 2705 ADDUCT: [M+H]+
2706 COLLISION_ENERGY:
2707 INSTRUMENT_TYPE: LC-ESI-Orbitrap
2708 NUM PEAKS: 102 2708 NUM PEAKS: 102
2709 89.03882 517274.0 2709 89.03882 517274.0
2710 90.03403 2492239.0 2710 90.03403 2492239.0
2711 91.04182 279822.0 2711 91.04182 279822.0
2712 91.05441 689902.0 2712 91.05441 689902.0
2808 222.10307 5281894.0 2808 222.10307 5281894.0
2809 223.11121 2054946.0 2809 223.11121 2054946.0
2810 224.119 13923746.0 2810 224.119 13923746.0
2811 2811
2812 SCANNUMBER: 1471 2812 SCANNUMBER: 1471
2813 PRECURSORTYPE: [M+H]+
2814 IONMODE: Positive 2813 IONMODE: Positive
2815 SPECTRUMTYPE: Centroid 2814 SPECTRUMTYPE: Centroid
2816 FORMULA: C7H14N4O3 2815 FORMULA: C7H14N4O3
2817 INCHIKEY: YKBZOVFACRVRJN-ZCFIWIBFSA-N 2816 INCHIKEY: YKBZOVFACRVRJN-ZCFIWIBFSA-N
2818 INCHI: 2817 INCHI:
2819 SMILES: CN=C(NN(=O)=O)NCC1COCC1 2818 SMILES: CN=C(NN(=O)=O)NCC1COCC1
2820 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 2819 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
2821 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 2820 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
2822 INSTRUMENTTYPE: LC-ESI-Orbitrap
2823 IONIZATION: ESI+ 2821 IONIZATION: ESI+
2824 LICENSE: CC BY-NC 2822 LICENSE: CC BY-NC
2825 COMMENT: 2823 COMMENT:
2826 COMPOUND_NAME: Dinotefuran 2824 COMPOUND_NAME: Dinotefuran
2827 RETENTION_TIME: 1.502809 2825 RETENTION_TIME: 1.502809
2828 PRECURSOR_MZ: 203.1141 2826 PRECURSOR_MZ: 203.1141
2829 COLLISION_ENERGY: 2827 ADDUCT: [M+H]+
2828 COLLISION_ENERGY:
2829 INSTRUMENT_TYPE: LC-ESI-Orbitrap
2830 NUM PEAKS: 13 2830 NUM PEAKS: 13
2831 87.07939 212770.0 2831 87.07939 212770.0
2832 100.0872 147065.0 2832 100.0872 147065.0
2833 101.09495 14292.0 2833 101.09495 14292.0
2834 112.08705 103076.0 2834 112.08705 103076.0
2841 157.12112 345152.0 2841 157.12112 345152.0
2842 173.11627 46987.0 2842 173.11627 46987.0
2843 203.11415 399504.0 2843 203.11415 399504.0
2844 2844
2845 SCANNUMBER: 8648 2845 SCANNUMBER: 8648
2846 PRECURSORTYPE: [M+H]+
2847 IONMODE: Positive 2846 IONMODE: Positive
2848 SPECTRUMTYPE: Centroid 2847 SPECTRUMTYPE: Centroid
2849 FORMULA: C24H16N4O2F6 2848 FORMULA: C24H16N4O2F6
2850 INCHIKEY: MIFOMMKAVSCNKQ-UHFFFAOYSA-N 2849 INCHIKEY: MIFOMMKAVSCNKQ-UHFFFAOYSA-N
2851 INCHI: 2850 INCHI:
2852 SMILES: N#Cc1ccc(cc1)CC(=NN=C(Nc1ccc(cc1)OC(F)(F)F)O)c1cccc(c1)C(F)(F)F 2851 SMILES: N#Cc1ccc(cc1)CC(=NN=C(Nc1ccc(cc1)OC(F)(F)F)O)c1cccc(c1)C(F)(F)F
2853 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 2852 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
2854 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 2853 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
2855 INSTRUMENTTYPE: LC-ESI-Orbitrap
2856 IONIZATION: ESI+ 2854 IONIZATION: ESI+
2857 LICENSE: CC BY-NC 2855 LICENSE: CC BY-NC
2858 COMMENT: 2856 COMMENT:
2859 COMPOUND_NAME: Metaflumizone 2857 COMPOUND_NAME: Metaflumizone
2860 RETENTION_TIME: 7.19479 2858 RETENTION_TIME: 7.19479
2861 PRECURSOR_MZ: 507.1251 2859 PRECURSOR_MZ: 507.1251
2862 COLLISION_ENERGY: 2860 ADDUCT: [M+H]+
2861 COLLISION_ENERGY:
2862 INSTRUMENT_TYPE: LC-ESI-Orbitrap
2863 NUM PEAKS: 33 2863 NUM PEAKS: 33
2864 89.03882 112603.0 2864 89.03882 112603.0
2865 92.0498 159120.0 2865 92.0498 159120.0
2866 93.0575 96261.0 2866 93.0575 96261.0
2867 110.06045 137716.0 2867 110.06045 137716.0
2894 287.07932 2154516.0 2894 287.07932 2154516.0
2895 288.0871 575359.0 2895 288.0871 575359.0
2896 330.08609 207585.0 2896 330.08609 207585.0
2897 2897
2898 SCANNUMBER: 3592 2898 SCANNUMBER: 3592
2899 PRECURSORTYPE: [M+H]+
2900 IONMODE: Positive 2899 IONMODE: Positive
2901 SPECTRUMTYPE: Centroid 2900 SPECTRUMTYPE: Centroid
2902 FORMULA: C15H21NO4 2901 FORMULA: C15H21NO4
2903 INCHIKEY: ZQEIXNIJLIKNTD-LBPRGKRZSA-N 2902 INCHIKEY: ZQEIXNIJLIKNTD-LBPRGKRZSA-N
2904 INCHI: 2903 INCHI:
2905 SMILES: COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C 2904 SMILES: COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C
2906 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 2905 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
2907 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 2906 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
2908 INSTRUMENTTYPE: LC-ESI-Orbitrap
2909 IONIZATION: ESI+ 2907 IONIZATION: ESI+
2910 LICENSE: CC BY-NC 2908 LICENSE: CC BY-NC
2911 COMMENT: 2909 COMMENT:
2912 COMPOUND_NAME: Metalaxyl 2910 COMPOUND_NAME: Metalaxyl
2913 RETENTION_TIME: 5.550616 2911 RETENTION_TIME: 5.550616
2914 PRECURSOR_MZ: 280.1547 2912 PRECURSOR_MZ: 280.1547
2915 COLLISION_ENERGY: 2913 ADDUCT: [M+H]+
2914 COLLISION_ENERGY:
2915 INSTRUMENT_TYPE: LC-ESI-Orbitrap
2916 NUM PEAKS: 24 2916 NUM PEAKS: 24
2917 91.05441 81742.0 2917 91.05441 81742.0
2918 105.06991 446715.0 2918 105.06991 446715.0
2919 117.0574 85397.0 2919 117.0574 85397.0
2920 118.06519 181419.0 2920 118.06519 181419.0
2938 164.10716 139534.0 2938 164.10716 139534.0
2939 192.13879 614235.0 2939 192.13879 614235.0
2940 220.13348 136200.0 2940 220.13348 136200.0
2941 2941
2942 SCANNUMBER: 4181 2942 SCANNUMBER: 4181
2943 PRECURSORTYPE: [M+H]+
2944 IONMODE: Positive 2943 IONMODE: Positive
2945 SPECTRUMTYPE: Centroid 2944 SPECTRUMTYPE: Centroid
2946 FORMULA: C15H17N4Cl 2945 FORMULA: C15H17N4Cl
2947 INCHIKEY: HZJKXKUJVSEEFU-HNNXBMFYSA-N 2946 INCHIKEY: HZJKXKUJVSEEFU-HNNXBMFYSA-N
2948 INCHI: 2947 INCHI:
2949 SMILES: CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N 2948 SMILES: CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N
2950 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 2949 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
2951 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 2950 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
2952 INSTRUMENTTYPE: LC-ESI-Orbitrap
2953 IONIZATION: ESI+ 2951 IONIZATION: ESI+
2954 LICENSE: CC BY-NC 2952 LICENSE: CC BY-NC
2955 COMMENT: 2953 COMMENT:
2956 COMPOUND_NAME: Myclobutanil 2954 COMPOUND_NAME: Myclobutanil
2957 RETENTION_TIME: 6.259462 2955 RETENTION_TIME: 6.259462
2958 PRECURSOR_MZ: 289.1221 2956 PRECURSOR_MZ: 289.1221
2959 COLLISION_ENERGY: 2957 ADDUCT: [M+H]+
2958 COLLISION_ENERGY:
2959 INSTRUMENT_TYPE: LC-ESI-Orbitrap
2960 NUM PEAKS: 18 2960 NUM PEAKS: 18
2961 89.03882 46919.0 2961 89.03882 46919.0
2962 98.99973 29039.0 2962 98.99973 29039.0
2963 115.05431 84807.0 2963 115.05431 84807.0
2964 116.06212 93918.0 2964 116.06212 93918.0
2976 168.09337 31175.0 2976 168.09337 31175.0
2977 175.03131 41390.0 2977 175.03131 41390.0
2978 178.04208 93247.0 2978 178.04208 93247.0
2979 2979
2980 SCANNUMBER: 3029 2980 SCANNUMBER: 3029
2981 PRECURSORTYPE: [M+H]+
2982 IONMODE: Positive 2981 IONMODE: Positive
2983 SPECTRUMTYPE: Centroid 2982 SPECTRUMTYPE: Centroid
2984 FORMULA: C14H18N2O4 2983 FORMULA: C14H18N2O4
2985 INCHIKEY: UWVQIROCRJWDKL-UHFFFAOYSA-N 2984 INCHIKEY: UWVQIROCRJWDKL-UHFFFAOYSA-N
2986 INCHI: 2985 INCHI:
2987 SMILES: COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O 2986 SMILES: COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O
2988 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 2987 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
2989 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 2988 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
2990 INSTRUMENTTYPE: LC-ESI-Orbitrap
2991 IONIZATION: ESI+ 2989 IONIZATION: ESI+
2992 LICENSE: CC BY-NC 2990 LICENSE: CC BY-NC
2993 COMMENT: 2991 COMMENT:
2994 COMPOUND_NAME: Oxadixyl 2992 COMPOUND_NAME: Oxadixyl
2995 RETENTION_TIME: 4.402048 2993 RETENTION_TIME: 4.402048
2996 PRECURSOR_MZ: 279.1344 2994 PRECURSOR_MZ: 279.1344
2997 COLLISION_ENERGY: 2995 ADDUCT: [M+H]+
2996 COLLISION_ENERGY:
2997 INSTRUMENT_TYPE: LC-ESI-Orbitrap
2998 NUM PEAKS: 7 2998 NUM PEAKS: 7
2999 102.05517 448694.0 2999 102.05517 448694.0
3000 132.08089 139055.0 3000 132.08089 139055.0
3001 133.08878 111093.0 3001 133.08878 111093.0
3002 160.07613 49235.0 3002 160.07613 49235.0
3003 192.10234 94587.0 3003 192.10234 94587.0
3004 219.11325 4470994.0 3004 219.11325 4470994.0
3005 279.13367 216370.0 3005 279.13367 216370.0
3006 3006
3007 SCANNUMBER: 7968 3007 SCANNUMBER: 7968
3008 PRECURSORTYPE: [M+H]+
3009 IONMODE: Positive 3008 IONMODE: Positive
3010 SPECTRUMTYPE: Centroid 3009 SPECTRUMTYPE: Centroid
3011 FORMULA: C15H16N3O2Cl3 3010 FORMULA: C15H16N3O2Cl3
3012 INCHIKEY: TVLSRXXIMLFWEO-UHFFFAOYSA-N 3011 INCHIKEY: TVLSRXXIMLFWEO-UHFFFAOYSA-N
3013 INCHI: 3012 INCHI:
3014 SMILES: CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl 3013 SMILES: CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl
3015 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 3014 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
3016 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 3015 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
3017 INSTRUMENTTYPE: LC-ESI-Orbitrap
3018 IONIZATION: ESI+ 3016 IONIZATION: ESI+
3019 LICENSE: CC BY-NC 3017 LICENSE: CC BY-NC
3020 COMMENT: 3018 COMMENT:
3021 COMPOUND_NAME: Prochloraz 3019 COMPOUND_NAME: Prochloraz
3022 RETENTION_TIME: 7.089308 3020 RETENTION_TIME: 7.089308
3023 PRECURSOR_MZ: 376.0388 3021 PRECURSOR_MZ: 376.0388
3024 COLLISION_ENERGY: 3022 ADDUCT: [M+H]+
3023 COLLISION_ENERGY:
3024 INSTRUMENT_TYPE: LC-ESI-Orbitrap
3025 NUM PEAKS: 3 3025 NUM PEAKS: 3
3026 265.95453 2776909.0 3026 265.95453 2776909.0
3027 308.00125 53942956.0 3027 308.00125 53942956.0
3028 376.03964 3704219.0 3028 376.03964 3704219.0
3029 3029
3030 SCANNUMBER: 2214 3030 SCANNUMBER: 2214
3031 PRECURSORTYPE: [M+H]+
3032 IONMODE: Positive 3031 IONMODE: Positive
3033 SPECTRUMTYPE: Centroid 3032 SPECTRUMTYPE: Centroid
3034 FORMULA: C10H19N5O 3033 FORMULA: C10H19N5O
3035 INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N 3034 INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N
3036 INCHI: 3035 INCHI:
3037 SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1 3036 SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
3038 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 3037 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
3039 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 3038 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
3040 INSTRUMENTTYPE: LC-ESI-Orbitrap
3041 IONIZATION: ESI+ 3039 IONIZATION: ESI+
3042 LICENSE: CC BY-NC 3040 LICENSE: CC BY-NC
3043 COMMENT: 3041 COMMENT:
3044 COMPOUND_NAME: Prometon_1 3042 COMPOUND_NAME: Prometon_1
3045 RETENTION_TIME: 3.185351 3043 RETENTION_TIME: 3.185351
3046 PRECURSOR_MZ: 226.1667 3044 PRECURSOR_MZ: 226.1667
3047 COLLISION_ENERGY: 3045 ADDUCT: [M+H]+
3046 COLLISION_ENERGY:
3047 INSTRUMENT_TYPE: LC-ESI-Orbitrap
3048 NUM PEAKS: 16 3048 NUM PEAKS: 16
3049 85.05116 254026.0 3049 85.05116 254026.0
3050 85.07622 1248785.0 3050 85.07622 1248785.0
3051 86.03511 7693232.0 3051 86.03511 7693232.0
3052 96.05572 2045746.0 3052 96.05572 2045746.0
3062 168.0881 278497.0 3062 168.0881 278497.0
3063 170.10394 12296676.0 3063 170.10394 12296676.0
3064 184.11964 1858746.0 3064 184.11964 1858746.0
3065 3065
3066 SCANNUMBER: 2376 3066 SCANNUMBER: 2376
3067 PRECURSORTYPE: [M+H]+
3068 IONMODE: Positive 3067 IONMODE: Positive
3069 SPECTRUMTYPE: Centroid 3068 SPECTRUMTYPE: Centroid
3070 FORMULA: C10H19N5O 3069 FORMULA: C10H19N5O
3071 INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N 3070 INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N
3072 INCHI: 3071 INCHI:
3073 SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1 3072 SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
3074 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 3073 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
3075 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 3074 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
3076 INSTRUMENTTYPE: LC-ESI-Orbitrap
3077 IONIZATION: ESI+ 3075 IONIZATION: ESI+
3078 LICENSE: CC BY-NC 3076 LICENSE: CC BY-NC
3079 COMMENT: 3077 COMMENT:
3080 COMPOUND_NAME: Prometon_2 3078 COMPOUND_NAME: Prometon_2
3081 RETENTION_TIME: 3.288845 3079 RETENTION_TIME: 3.288845
3082 PRECURSOR_MZ: 226.1663 3080 PRECURSOR_MZ: 226.1663
3083 COLLISION_ENERGY: 3081 ADDUCT: [M+H]+
3082 COLLISION_ENERGY:
3083 INSTRUMENT_TYPE: LC-ESI-Orbitrap
3084 NUM PEAKS: 22 3084 NUM PEAKS: 22
3085 85.05116 203704.0 3085 85.05116 203704.0
3086 85.07622 1795800.0 3086 85.07622 1795800.0
3087 86.03511 4360152.0 3087 86.03511 4360152.0
3088 96.05572 3992152.0 3088 96.05572 3992152.0
3104 170.10394 12923365.0 3104 170.10394 12923365.0
3105 184.11964 137608.0 3105 184.11964 137608.0
3106 226.16615 243943.0 3106 226.16615 243943.0
3107 3107
3108 SCANNUMBER: 1328 3108 SCANNUMBER: 1328
3109 PRECURSORTYPE: [M+H]+
3110 IONMODE: Positive 3109 IONMODE: Positive
3111 SPECTRUMTYPE: Centroid 3110 SPECTRUMTYPE: Centroid
3112 FORMULA: C10H11N5O 3111 FORMULA: C10H11N5O
3113 INCHIKEY: QHMTXANCGGJZRX-UHFFFAOYSA-N 3112 INCHIKEY: QHMTXANCGGJZRX-UHFFFAOYSA-N
3114 INCHI: 3113 INCHI:
3115 SMILES: CC1=NN=C(N(C1)N=Cc1cccnc1)O 3114 SMILES: CC1=NN=C(N(C1)N=Cc1cccnc1)O
3116 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 3115 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
3117 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 3116 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
3118 INSTRUMENTTYPE: LC-ESI-Orbitrap
3119 IONIZATION: ESI+ 3117 IONIZATION: ESI+
3120 LICENSE: CC BY-NC 3118 LICENSE: CC BY-NC
3121 COMMENT: 3119 COMMENT:
3122 COMPOUND_NAME: Pymetrozine 3120 COMPOUND_NAME: Pymetrozine
3123 RETENTION_TIME: 1.373368 3121 RETENTION_TIME: 1.373368
3124 PRECURSOR_MZ: 218.1044 3122 PRECURSOR_MZ: 218.1044
3125 COLLISION_ENERGY: 3123 ADDUCT: [M+H]+
3124 COLLISION_ENERGY:
3125 INSTRUMENT_TYPE: LC-ESI-Orbitrap
3126 NUM PEAKS: 2 3126 NUM PEAKS: 2
3127 96.04461 383408.0 3127 96.04461 383408.0
3128 105.04506 15166273.0 3128 105.04506 15166273.0
3129 3129
3130 SCANNUMBER: 3243 3130 SCANNUMBER: 3243
3131 PRECURSORTYPE: [M+H]+
3132 IONMODE: Positive 3131 IONMODE: Positive
3133 SPECTRUMTYPE: Centroid 3132 SPECTRUMTYPE: Centroid
3134 FORMULA: C13H15NO2 3133 FORMULA: C13H15NO2
3135 INCHIKEY: YPCALTGLHFLNGA-UHFFFAOYSA-N 3134 INCHIKEY: YPCALTGLHFLNGA-UHFFFAOYSA-N
3136 INCHI: 3135 INCHI:
3137 SMILES: OC(=Nc1ccccc1)C1=C(C)OCCC1 3136 SMILES: OC(=Nc1ccccc1)C1=C(C)OCCC1
3138 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 3137 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
3139 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 3138 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
3140 INSTRUMENTTYPE: LC-ESI-Orbitrap
3141 IONIZATION: ESI+ 3139 IONIZATION: ESI+
3142 LICENSE: CC BY-NC 3140 LICENSE: CC BY-NC
3143 COMMENT: 3141 COMMENT:
3144 COMPOUND_NAME: Pyracarbolid 3142 COMPOUND_NAME: Pyracarbolid
3145 RETENTION_TIME: 4.72542 3143 RETENTION_TIME: 4.72542
3146 PRECURSOR_MZ: 218.1182 3144 PRECURSOR_MZ: 218.1182
3147 COLLISION_ENERGY: 3145 ADDUCT: [M+H]+
3146 COLLISION_ENERGY:
3147 INSTRUMENT_TYPE: LC-ESI-Orbitrap
3148 NUM PEAKS: 8 3148 NUM PEAKS: 8
3149 92.04956 222486.0 3149 92.04956 222486.0
3150 95.04928 559755.0 3150 95.04928 559755.0
3151 97.02871 2882447.0 3151 97.02871 2882447.0
3152 97.06489 514552.0 3152 97.06489 514552.0
3154 107.04936 2653095.0 3154 107.04936 2653095.0
3155 115.03907 949155.0 3155 115.03907 949155.0
3156 125.05998 14590636.0 3156 125.05998 14590636.0
3157 3157
3158 SCANNUMBER: 3684 3158 SCANNUMBER: 3684
3159 PRECURSORTYPE: [M+H]+
3160 IONMODE: Positive 3159 IONMODE: Positive
3161 SPECTRUMTYPE: Centroid 3160 SPECTRUMTYPE: Centroid
3162 FORMULA: C12H13N3 3161 FORMULA: C12H13N3
3163 INCHIKEY: ZLIBICFPKPWGIZ-UHFFFAOYSA-N 3162 INCHIKEY: ZLIBICFPKPWGIZ-UHFFFAOYSA-N
3164 INCHI: 3163 INCHI:
3165 SMILES: Cc1cc(C)nc(n1)Nc1ccccc1 3164 SMILES: Cc1cc(C)nc(n1)Nc1ccccc1
3166 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 3165 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
3167 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 3166 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
3168 INSTRUMENTTYPE: LC-ESI-Orbitrap
3169 IONIZATION: ESI+ 3167 IONIZATION: ESI+
3170 LICENSE: CC BY-NC 3168 LICENSE: CC BY-NC
3171 COMMENT: 3169 COMMENT:
3172 COMPOUND_NAME: Pyrimethanil 3170 COMPOUND_NAME: Pyrimethanil
3173 RETENTION_TIME: 5.598423 3171 RETENTION_TIME: 5.598423
3174 PRECURSOR_MZ: 200.1186 3172 PRECURSOR_MZ: 200.1186
3175 COLLISION_ENERGY: 3173 ADDUCT: [M+H]+
3174 COLLISION_ENERGY:
3175 INSTRUMENT_TYPE: LC-ESI-Orbitrap
3176 NUM PEAKS: 43 3176 NUM PEAKS: 43
3177 91.05441 269141.0 3177 91.05441 269141.0
3178 92.0498 1006183.0 3178 92.0498 1006183.0
3179 93.0575 798806.0 3179 93.0575 798806.0
3180 95.04928 864623.0 3180 95.04928 864623.0
3217 198.10313 499158.0 3217 198.10313 499158.0
3218 199.11044 154902.0 3218 199.11044 154902.0
3219 200.11862 13352280.0 3219 200.11862 13352280.0
3220 3220
3221 SCANNUMBER: 10159 3221 SCANNUMBER: 10159
3222 PRECURSORTYPE: [M+H]+
3223 IONMODE: Positive 3222 IONMODE: Positive
3224 SPECTRUMTYPE: Centroid 3223 SPECTRUMTYPE: Centroid
3225 FORMULA: C20H19NO3 3224 FORMULA: C20H19NO3
3226 INCHIKEY: NHDHVHZZCFYRSB-INIZCTEOSA-N 3225 INCHIKEY: NHDHVHZZCFYRSB-INIZCTEOSA-N
3227 INCHI: 3226 INCHI:
3228 SMILES: CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1 3227 SMILES: CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1
3229 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 3228 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
3230 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 3229 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
3231 INSTRUMENTTYPE: LC-ESI-Orbitrap
3232 IONIZATION: ESI+ 3230 IONIZATION: ESI+
3233 LICENSE: CC BY-NC 3231 LICENSE: CC BY-NC
3234 COMMENT: 3232 COMMENT:
3235 COMPOUND_NAME: Pyriproxyfen 3233 COMPOUND_NAME: Pyriproxyfen
3236 RETENTION_TIME: 7.483148 3234 RETENTION_TIME: 7.483148
3237 PRECURSOR_MZ: 322.1441 3235 PRECURSOR_MZ: 322.1441
3238 COLLISION_ENERGY: 3236 ADDUCT: [M+H]+
3237 COLLISION_ENERGY:
3238 INSTRUMENT_TYPE: LC-ESI-Orbitrap
3239 NUM PEAKS: 21 3239 NUM PEAKS: 21
3240 91.05465 1995486.0 3240 91.05465 1995486.0
3241 95.04953 2794273.0 3241 95.04953 2794273.0
3242 96.04461 57722984.0 3242 96.04461 57722984.0
3243 105.04505 1487815.0 3243 105.04505 1487815.0
3258 186.06801 602621.0 3258 186.06801 602621.0
3259 194.07315 653455.0 3259 194.07315 653455.0
3260 199.07576 804230.0 3260 199.07576 804230.0
3261 3261
3262 SCANNUMBER: 5448 3262 SCANNUMBER: 5448
3263 PRECURSORTYPE: [M+H]+
3264 IONMODE: Positive 3263 IONMODE: Positive
3265 SPECTRUMTYPE: Centroid 3264 SPECTRUMTYPE: Centroid
3266 FORMULA: C17H19NO2 3265 FORMULA: C17H19NO2
3267 INCHIKEY: BCTQJXQXJVLSIG-UHFFFAOYSA-N 3266 INCHIKEY: BCTQJXQXJVLSIG-UHFFFAOYSA-N
3268 INCHI: 3267 INCHI:
3269 SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C)O)C 3268 SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C)O)C
3270 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 3269 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
3271 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 3270 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
3272 INSTRUMENTTYPE: LC-ESI-Orbitrap
3273 IONIZATION: ESI+ 3271 IONIZATION: ESI+
3274 LICENSE: CC BY-NC 3272 LICENSE: CC BY-NC
3275 COMMENT: 3273 COMMENT:
3276 COMPOUND_NAME: Mepronil 3274 COMPOUND_NAME: Mepronil
3277 RETENTION_TIME: 6.63015 3275 RETENTION_TIME: 6.63015
3278 PRECURSOR_MZ: 270.1492 3276 PRECURSOR_MZ: 270.1492
3279 COLLISION_ENERGY: 3277 ADDUCT: [M+H]+
3278 COLLISION_ENERGY:
3279 INSTRUMENT_TYPE: LC-ESI-Orbitrap
3280 NUM PEAKS: 8 3280 NUM PEAKS: 8
3281 91.05465 4818532.0 3281 91.05465 4818532.0
3282 107.04936 268915.0 3282 107.04936 268915.0
3283 108.0449 232011.0 3283 108.0449 232011.0
3284 109.0651 1528311.0 3284 109.0651 1528311.0
3286 119.04979 16405699.0 3286 119.04979 16405699.0
3287 119.0592 353581.0 3287 119.0592 353581.0
3288 136.03949 166339.0 3288 136.03949 166339.0
3289 3289
3290 SCANNUMBER: 3190 3290 SCANNUMBER: 3190
3291 PRECURSORTYPE: [M+H]+
3292 IONMODE: Positive 3291 IONMODE: Positive
3293 SPECTRUMTYPE: Centroid 3292 SPECTRUMTYPE: Centroid
3294 FORMULA: C18H35NO2 3293 FORMULA: C18H35NO2
3295 INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N 3294 INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N
3296 INCHI: 3295 INCHI:
3297 SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC 3296 SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC
3298 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 3297 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
3299 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 3298 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
3300 INSTRUMENTTYPE: LC-ESI-Orbitrap
3301 IONIZATION: ESI+ 3299 IONIZATION: ESI+
3302 LICENSE: CC BY-NC 3300 LICENSE: CC BY-NC
3303 COMMENT: 3301 COMMENT:
3304 COMPOUND_NAME: Spiroxamine_2 3302 COMPOUND_NAME: Spiroxamine_2
3305 RETENTION_TIME: 4.628222 3303 RETENTION_TIME: 4.628222
3306 PRECURSOR_MZ: 298.2747 3304 PRECURSOR_MZ: 298.2747
3307 COLLISION_ENERGY: 3305 ADDUCT: [M+H]+
3306 COLLISION_ENERGY:
3307 INSTRUMENT_TYPE: LC-ESI-Orbitrap
3308 NUM PEAKS: 4 3308 NUM PEAKS: 4
3309 100.11219 10585697.0 3309 100.11219 10585697.0
3310 102.09142 415934.0 3310 102.09142 415934.0
3311 126.12786 286929.0 3311 126.12786 286929.0
3312 144.13857 10367585.0 3312 144.13857 10367585.0
3313 3313
3314 SCANNUMBER: 8797 3314 SCANNUMBER: 8797
3315 PRECURSORTYPE: [M+H]+
3316 IONMODE: Positive 3315 IONMODE: Positive
3317 SPECTRUMTYPE: Centroid 3316 SPECTRUMTYPE: Centroid
3318 FORMULA: C18H24N3OCl 3317 FORMULA: C18H24N3OCl
3319 INCHIKEY: ZZYSLNWGKKDOML-UHFFFAOYSA-N 3318 INCHIKEY: ZZYSLNWGKKDOML-UHFFFAOYSA-N
3320 INCHI: 3319 INCHI:
3321 SMILES: CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C 3320 SMILES: CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C
3322 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 3321 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
3323 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 3322 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
3324 INSTRUMENTTYPE: LC-ESI-Orbitrap
3325 IONIZATION: ESI+ 3323 IONIZATION: ESI+
3326 LICENSE: CC BY-NC 3324 LICENSE: CC BY-NC
3327 COMMENT: 3325 COMMENT:
3328 COMPOUND_NAME: Tebufenpyrad 3326 COMPOUND_NAME: Tebufenpyrad
3329 RETENTION_TIME: 7.223254 3327 RETENTION_TIME: 7.223254
3330 PRECURSOR_MZ: 334.1692 3328 PRECURSOR_MZ: 334.1692
3331 COLLISION_ENERGY: 3329 ADDUCT: [M+H]+
3330 COLLISION_ENERGY:
3331 INSTRUMENT_TYPE: LC-ESI-Orbitrap
3332 NUM PEAKS: 17 3332 NUM PEAKS: 17
3333 90.01088 682936.0 3333 90.01088 682936.0
3334 91.05441 694638.0 3334 91.05441 694638.0
3335 105.0702 2926113.0 3335 105.0702 2926113.0
3336 107.08593 482744.0 3336 107.08593 482744.0
3347 188.05853 456215.0 3347 188.05853 456215.0
3348 200.05861 396435.0 3348 200.05861 396435.0
3349 334.16821 933979.0 3349 334.16821 933979.0
3350 3350
3351 SCANNUMBER: 2214 3351 SCANNUMBER: 2214
3352 PRECURSORTYPE: [M+H]+
3353 IONMODE: Positive 3352 IONMODE: Positive
3354 SPECTRUMTYPE: Centroid 3353 SPECTRUMTYPE: Centroid
3355 FORMULA: C10H19N5O 3354 FORMULA: C10H19N5O
3356 INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N 3355 INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N
3357 INCHI: 3356 INCHI:
3358 SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C 3357 SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C
3359 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 3358 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
3360 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 3359 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
3361 INSTRUMENTTYPE: LC-ESI-Orbitrap
3362 IONIZATION: ESI+ 3360 IONIZATION: ESI+
3363 LICENSE: CC BY-NC 3361 LICENSE: CC BY-NC
3364 COMMENT: 3362 COMMENT:
3365 COMPOUND_NAME: Terbumeton_1 3363 COMPOUND_NAME: Terbumeton_1
3366 RETENTION_TIME: 3.185351 3364 RETENTION_TIME: 3.185351
3367 PRECURSOR_MZ: 226.1667 3365 PRECURSOR_MZ: 226.1667
3368 COLLISION_ENERGY: 3366 ADDUCT: [M+H]+
3367 COLLISION_ENERGY:
3368 INSTRUMENT_TYPE: LC-ESI-Orbitrap
3369 NUM PEAKS: 16 3369 NUM PEAKS: 16
3370 85.05116 254026.0 3370 85.05116 254026.0
3371 85.07622 1248785.0 3371 85.07622 1248785.0
3372 86.03511 7693232.0 3372 86.03511 7693232.0
3373 96.05572 2045746.0 3373 96.05572 2045746.0
3383 168.0881 278497.0 3383 168.0881 278497.0
3384 170.10394 12296676.0 3384 170.10394 12296676.0
3385 184.11964 1858746.0 3385 184.11964 1858746.0
3386 3386
3387 SCANNUMBER: 2376 3387 SCANNUMBER: 2376
3388 PRECURSORTYPE: [M+H]+
3389 IONMODE: Positive 3388 IONMODE: Positive
3390 SPECTRUMTYPE: Centroid 3389 SPECTRUMTYPE: Centroid
3391 FORMULA: C10H19N5O 3390 FORMULA: C10H19N5O
3392 INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N 3391 INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N
3393 INCHI: 3392 INCHI:
3394 SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C 3393 SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C
3395 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 3394 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
3396 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 3395 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
3397 INSTRUMENTTYPE: LC-ESI-Orbitrap
3398 IONIZATION: ESI+ 3396 IONIZATION: ESI+
3399 LICENSE: CC BY-NC 3397 LICENSE: CC BY-NC
3400 COMMENT: 3398 COMMENT:
3401 COMPOUND_NAME: Terbumeton_2 3399 COMPOUND_NAME: Terbumeton_2
3402 RETENTION_TIME: 3.288845 3400 RETENTION_TIME: 3.288845
3403 PRECURSOR_MZ: 226.1663 3401 PRECURSOR_MZ: 226.1663
3404 COLLISION_ENERGY: 3402 ADDUCT: [M+H]+
3403 COLLISION_ENERGY:
3404 INSTRUMENT_TYPE: LC-ESI-Orbitrap
3405 NUM PEAKS: 22 3405 NUM PEAKS: 22
3406 85.05116 203704.0 3406 85.05116 203704.0
3407 85.07622 1795800.0 3407 85.07622 1795800.0
3408 86.03511 4360152.0 3408 86.03511 4360152.0
3409 96.05572 3992152.0 3409 96.05572 3992152.0
3425 170.10394 12923365.0 3425 170.10394 12923365.0
3426 184.11964 137608.0 3426 184.11964 137608.0
3427 226.16615 243943.0 3427 226.16615 243943.0
3428 3428
3429 SCANNUMBER: 4753 3429 SCANNUMBER: 4753
3430 PRECURSORTYPE: [M+H]+
3431 IONMODE: Positive 3430 IONMODE: Positive
3432 SPECTRUMTYPE: Centroid 3431 SPECTRUMTYPE: Centroid
3433 FORMULA: C14H16N3O2Cl 3432 FORMULA: C14H16N3O2Cl
3434 INCHIKEY: WURBVZBTWMNKQT-ZDUSSCGKSA-N 3433 INCHIKEY: WURBVZBTWMNKQT-ZDUSSCGKSA-N
3435 INCHI: 3434 INCHI:
3436 SMILES: O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl 3435 SMILES: O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl
3437 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 3436 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
3438 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 3437 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
3439 INSTRUMENTTYPE: LC-ESI-Orbitrap
3440 IONIZATION: ESI+ 3438 IONIZATION: ESI+
3441 LICENSE: CC BY-NC 3439 LICENSE: CC BY-NC
3442 COMMENT: 3440 COMMENT:
3443 COMPOUND_NAME: Triadimefon 3441 COMPOUND_NAME: Triadimefon
3444 RETENTION_TIME: 6.495691 3442 RETENTION_TIME: 6.495691
3445 PRECURSOR_MZ: 294.101 3443 PRECURSOR_MZ: 294.101
3446 COLLISION_ENERGY: 3444 ADDUCT: [M+H]+
3445 COLLISION_ENERGY:
3446 INSTRUMENT_TYPE: LC-ESI-Orbitrap
3447 NUM PEAKS: 34 3447 NUM PEAKS: 34
3448 91.05441 220380.0 3448 91.05441 220380.0
3449 93.03366 110759.0 3449 93.03366 110759.0
3450 94.04145 226678.0 3450 94.04145 226678.0
3451 95.04928 293143.0 3451 95.04928 293143.0
3479 175.07544 124355.0 3479 175.07544 124355.0
3480 190.09877 46793.0 3480 190.09877 46793.0
3481 197.073 124633.0 3481 197.073 124633.0
3482 3482
3483 SCANNUMBER: 8085 3483 SCANNUMBER: 8085
3484 PRECURSORTYPE: [M+H]+
3485 IONMODE: Positive 3484 IONMODE: Positive
3486 SPECTRUMTYPE: Centroid 3485 SPECTRUMTYPE: Centroid
3487 FORMULA: C20H19N2O4F3 3486 FORMULA: C20H19N2O4F3
3488 INCHIKEY: ONCZDRURRATYFI-UHFFFAOYSA-N 3487 INCHIKEY: ONCZDRURRATYFI-UHFFFAOYSA-N
3489 INCHI: 3488 INCHI:
3490 SMILES: CON=C(c1ccccc1CON=C(c1cccc(c1)C(F)(F)F)C)C(=O)OC 3489 SMILES: CON=C(c1ccccc1CON=C(c1cccc(c1)C(F)(F)F)C)C(=O)OC
3491 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 3490 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
3492 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 3491 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
3493 INSTRUMENTTYPE: LC-ESI-Orbitrap
3494 IONIZATION: ESI+ 3492 IONIZATION: ESI+
3495 LICENSE: CC BY-NC 3493 LICENSE: CC BY-NC
3496 COMMENT: 3494 COMMENT:
3497 COMPOUND_NAME: Trifloxystrobin 3495 COMPOUND_NAME: Trifloxystrobin
3498 RETENTION_TIME: 7.117416 3496 RETENTION_TIME: 7.117416
3499 PRECURSOR_MZ: 409.1378 3497 PRECURSOR_MZ: 409.1378
3500 COLLISION_ENERGY: 3498 ADDUCT: [M+H]+
3499 COLLISION_ENERGY:
3500 INSTRUMENT_TYPE: LC-ESI-Orbitrap
3501 NUM PEAKS: 20 3501 NUM PEAKS: 20
3502 89.03905 311273.0 3502 89.03905 311273.0
3503 91.05465 552137.0 3503 91.05465 552137.0
3504 105.07049 281496.0 3504 105.07049 281496.0
3505 116.05004 3644672.0 3505 116.05004 3644672.0
3519 173.03255 3885334.0 3519 173.03255 3885334.0
3520 186.05302 16153518.0 3520 186.05302 16153518.0
3521 206.08214 362046.0 3521 206.08214 362046.0
3522 3522
3523 SCANNUMBER: 7511 3523 SCANNUMBER: 7511
3524 PRECURSORTYPE: [M+H]+
3525 IONMODE: Positive 3524 IONMODE: Positive
3526 SPECTRUMTYPE: Centroid 3525 SPECTRUMTYPE: Centroid
3527 FORMULA: C14H16Cl3NO2 3526 FORMULA: C14H16Cl3NO2
3528 INCHIKEY: SOUGWDPPRBKJEX-AWEZNQCLSA-N 3527 INCHIKEY: SOUGWDPPRBKJEX-AWEZNQCLSA-N
3529 INCHI: 3528 INCHI:
3530 SMILES: CCC(C(=O)CCl)(N=C(c1cc(Cl)c(c(c1)Cl)C)O)C 3529 SMILES: CCC(C(=O)CCl)(N=C(c1cc(Cl)c(c(c1)Cl)C)O)C
3531 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 3530 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
3532 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 3531 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
3533 INSTRUMENTTYPE: LC-ESI-Orbitrap
3534 IONIZATION: ESI+ 3532 IONIZATION: ESI+
3535 LICENSE: CC BY-NC 3533 LICENSE: CC BY-NC
3536 COMMENT: 3534 COMMENT:
3537 COMPOUND_NAME: Zoxamide 3535 COMPOUND_NAME: Zoxamide
3538 RETENTION_TIME: 7.042906 3536 RETENTION_TIME: 7.042906
3539 PRECURSOR_MZ: 336.0327 3537 PRECURSOR_MZ: 336.0327
3540 COLLISION_ENERGY: 3538 ADDUCT: [M+H]+
3539 COLLISION_ENERGY:
3540 INSTRUMENT_TYPE: LC-ESI-Orbitrap
3541 NUM PEAKS: 7 3541 NUM PEAKS: 7
3542 122.99966 189624.0 3542 122.99966 189624.0
3543 158.97681 2350836.0 3543 158.97681 2350836.0
3544 160.99211 84080.0 3544 160.99211 84080.0
3545 176.98717 132424.0 3545 176.98717 132424.0
3546 186.97179 7551578.0 3546 186.97179 7551578.0
3547 186.98138 1310863.0 3547 186.98138 1310863.0
3548 203.99802 105210.0 3548 203.99802 105210.0
3549 3549
3550 SCANNUMBER: 10658 3550 SCANNUMBER: 10658
3551 PRECURSORTYPE: [M+H]+
3552 IONMODE: Positive 3551 IONMODE: Positive
3553 SPECTRUMTYPE: Centroid 3552 SPECTRUMTYPE: Centroid
3554 FORMULA: C15H8NOCl2F 3553 FORMULA: C15H8NOCl2F
3555 INCHIKEY: WRPIRSINYZBGPK-UHFFFAOYSA-N 3554 INCHIKEY: WRPIRSINYZBGPK-UHFFFAOYSA-N
3556 INCHI: 3555 INCHI:
3557 SMILES: Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl 3556 SMILES: Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl
3558 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 3557 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
3559 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 3558 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
3560 INSTRUMENTTYPE: LC-ESI-Orbitrap
3561 IONIZATION: ESI+ 3559 IONIZATION: ESI+
3562 LICENSE: CC BY-NC 3560 LICENSE: CC BY-NC
3563 COMMENT: 3561 COMMENT:
3564 COMPOUND_NAME: Quinoxyfen 3562 COMPOUND_NAME: Quinoxyfen
3565 RETENTION_TIME: 7.693292 3563 RETENTION_TIME: 7.693292
3566 PRECURSOR_MZ: 308.0046 3564 PRECURSOR_MZ: 308.0046
3567 COLLISION_ENERGY: 3565 ADDUCT: [M+H]+
3566 COLLISION_ENERGY:
3567 INSTRUMENT_TYPE: LC-ESI-Orbitrap
3568 NUM PEAKS: 28 3568 NUM PEAKS: 28
3569 113.04024 951160.0 3569 113.04024 951160.0
3570 123.00003 519051.0 3570 123.00003 519051.0
3571 123.03591 2234640.0 3571 123.03591 2234640.0
3572 133.05254 505534.0 3572 133.05254 505534.0
3594 280.00934 1380984.0 3594 280.00934 1380984.0
3595 287.99789 1053238.0 3595 287.99789 1053238.0
3596 308.00415 16622164.0 3596 308.00415 16622164.0
3597 3597
3598 SCANNUMBER: 10564 3598 SCANNUMBER: 10564
3599 PRECURSORTYPE: [M+H]+
3600 IONMODE: Positive 3599 IONMODE: Positive
3601 SPECTRUMTYPE: Centroid 3600 SPECTRUMTYPE: Centroid
3602 FORMULA: C23H22O6 3601 FORMULA: C23H22O6
3603 INCHIKEY: JUVIOZPCNVVQFO-NDXORKPFSA-N 3602 INCHIKEY: JUVIOZPCNVVQFO-NDXORKPFSA-N
3604 INCHI: 3603 INCHI:
3605 SMILES: COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1CC(Oc1cc2)C(=C)C 3604 SMILES: COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1CC(Oc1cc2)C(=C)C
3606 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 3605 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
3607 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 3606 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
3608 INSTRUMENTTYPE: LC-ESI-Orbitrap
3609 IONIZATION: ESI+ 3607 IONIZATION: ESI+
3610 LICENSE: CC BY-NC 3608 LICENSE: CC BY-NC
3611 COMMENT: 3609 COMMENT:
3612 COMPOUND_NAME: Rotenone 3610 COMPOUND_NAME: Rotenone
3613 RETENTION_TIME: 7.674882 3611 RETENTION_TIME: 7.674882
3614 PRECURSOR_MZ: 395.1498 3612 PRECURSOR_MZ: 395.1498
3615 COLLISION_ENERGY: 3613 ADDUCT: [M+H]+
3614 COLLISION_ENERGY:
3615 INSTRUMENT_TYPE: LC-ESI-Orbitrap
3616 NUM PEAKS: 118 3616 NUM PEAKS: 118
3617 91.05441 20240.0 3617 91.05441 20240.0
3618 94.04169 8976.0 3618 94.04169 8976.0
3619 95.04953 15733.0 3619 95.04953 15733.0
3620 96.05724 5644.0 3620 96.05724 5644.0
3732 347.091 7782.0 3732 347.091 7782.0
3733 349.10764 9303.0 3733 349.10764 9303.0
3734 377.13797 5836.0 3734 377.13797 5836.0
3735 3735
3736 SCANNUMBER: 2214 3736 SCANNUMBER: 2214
3737 PRECURSORTYPE: [M+H]+
3738 IONMODE: Positive 3737 IONMODE: Positive
3739 SPECTRUMTYPE: Centroid 3738 SPECTRUMTYPE: Centroid
3740 FORMULA: C10H19N5O 3739 FORMULA: C10H19N5O
3741 INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N 3740 INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N
3742 INCHI: 3741 INCHI:
3743 SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1 3742 SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1
3744 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 3743 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
3745 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 3744 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
3746 INSTRUMENTTYPE: LC-ESI-Orbitrap
3747 IONIZATION: ESI+ 3745 IONIZATION: ESI+
3748 LICENSE: CC BY-NC 3746 LICENSE: CC BY-NC
3749 COMMENT: 3747 COMMENT:
3750 COMPOUND_NAME: Secbumeton_1 3748 COMPOUND_NAME: Secbumeton_1
3751 RETENTION_TIME: 3.185351 3749 RETENTION_TIME: 3.185351
3752 PRECURSOR_MZ: 226.1667 3750 PRECURSOR_MZ: 226.1667
3753 COLLISION_ENERGY: 3751 ADDUCT: [M+H]+
3752 COLLISION_ENERGY:
3753 INSTRUMENT_TYPE: LC-ESI-Orbitrap
3754 NUM PEAKS: 16 3754 NUM PEAKS: 16
3755 85.05116 254026.0 3755 85.05116 254026.0
3756 85.07622 1248785.0 3756 85.07622 1248785.0
3757 86.03511 7693232.0 3757 86.03511 7693232.0
3758 96.05572 2045746.0 3758 96.05572 2045746.0
3768 168.0881 278497.0 3768 168.0881 278497.0
3769 170.10394 12296676.0 3769 170.10394 12296676.0
3770 184.11964 1858746.0 3770 184.11964 1858746.0
3771 3771
3772 SCANNUMBER: 2376 3772 SCANNUMBER: 2376
3773 PRECURSORTYPE: [M+H]+
3774 IONMODE: Positive 3773 IONMODE: Positive
3775 SPECTRUMTYPE: Centroid 3774 SPECTRUMTYPE: Centroid
3776 FORMULA: C10H19N5O 3775 FORMULA: C10H19N5O
3777 INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N 3776 INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N
3778 INCHI: 3777 INCHI:
3779 SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1 3778 SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1
3780 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 3779 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
3781 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 3780 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
3782 INSTRUMENTTYPE: LC-ESI-Orbitrap
3783 IONIZATION: ESI+ 3781 IONIZATION: ESI+
3784 LICENSE: CC BY-NC 3782 LICENSE: CC BY-NC
3785 COMMENT: 3783 COMMENT:
3786 COMPOUND_NAME: Secbumeton_2 3784 COMPOUND_NAME: Secbumeton_2
3787 RETENTION_TIME: 3.288845 3785 RETENTION_TIME: 3.288845
3788 PRECURSOR_MZ: 226.1663 3786 PRECURSOR_MZ: 226.1663
3789 COLLISION_ENERGY: 3787 ADDUCT: [M+H]+
3788 COLLISION_ENERGY:
3789 INSTRUMENT_TYPE: LC-ESI-Orbitrap
3790 NUM PEAKS: 22 3790 NUM PEAKS: 22
3791 85.05116 203704.0 3791 85.05116 203704.0
3792 85.07622 1795800.0 3792 85.07622 1795800.0
3793 86.03511 4360152.0 3793 86.03511 4360152.0
3794 96.05572 3992152.0 3794 96.05572 3992152.0
3810 170.10394 12923365.0 3810 170.10394 12923365.0
3811 184.11964 137608.0 3811 184.11964 137608.0
3812 226.16615 243943.0 3812 226.16615 243943.0
3813 3813
3814 SCANNUMBER: 3100 3814 SCANNUMBER: 3100
3815 PRECURSORTYPE: [M+H]+
3816 IONMODE: Positive 3815 IONMODE: Positive
3817 SPECTRUMTYPE: Centroid 3816 SPECTRUMTYPE: Centroid
3818 FORMULA: C18H35NO2 3817 FORMULA: C18H35NO2
3819 INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N 3818 INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N
3820 INCHI: 3819 INCHI:
3821 SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC 3820 SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC
3822 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 3821 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
3823 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 3822 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
3824 INSTRUMENTTYPE: LC-ESI-Orbitrap
3825 IONIZATION: ESI+ 3823 IONIZATION: ESI+
3826 LICENSE: CC BY-NC 3824 LICENSE: CC BY-NC
3827 COMMENT: 3825 COMMENT:
3828 COMPOUND_NAME: Spiroxamine_1 3826 COMPOUND_NAME: Spiroxamine_1
3829 RETENTION_TIME: 4.508498 3827 RETENTION_TIME: 4.508498
3830 PRECURSOR_MZ: 298.2746 3828 PRECURSOR_MZ: 298.2746
3831 COLLISION_ENERGY: 3829 ADDUCT: [M+H]+
3830 COLLISION_ENERGY:
3831 INSTRUMENT_TYPE: LC-ESI-Orbitrap
3832 NUM PEAKS: 4 3832 NUM PEAKS: 4
3833 100.11219 3396827.0 3833 100.11219 3396827.0
3834 102.09142 137060.0 3834 102.09142 137060.0
3835 126.12786 85740.0 3835 126.12786 85740.0
3836 144.13857 3215019.0 3836 144.13857 3215019.0
3837 3837
3838 SCANNUMBER: 6504 3838 SCANNUMBER: 6504
3839 PRECURSORTYPE: [M+H]+
3840 IONMODE: Positive 3839 IONMODE: Positive
3841 SPECTRUMTYPE: Centroid 3840 SPECTRUMTYPE: Centroid
3842 FORMULA: C8H6N2OS2 3841 FORMULA: C8H6N2OS2
3843 INCHIKEY: UELITFHSCLAHKR-UHFFFAOYSA-N 3842 INCHIKEY: UELITFHSCLAHKR-UHFFFAOYSA-N
3844 INCHI: 3843 INCHI:
3845 SMILES: CSC(=O)c1cccc2c1snn2 3844 SMILES: CSC(=O)c1cccc2c1snn2
3846 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 3845 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
3847 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 3846 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
3848 INSTRUMENTTYPE: LC-ESI-Orbitrap
3849 IONIZATION: ESI+ 3847 IONIZATION: ESI+
3850 LICENSE: CC BY-NC 3848 LICENSE: CC BY-NC
3851 COMMENT: 3849 COMMENT:
3852 COMPOUND_NAME: Acibenzolar-S-methyl 3850 COMPOUND_NAME: Acibenzolar-S-methyl
3853 RETENTION_TIME: 7.209623 3851 RETENTION_TIME: 7.209623
3854 PRECURSOR_MZ: 210.9997 3852 PRECURSOR_MZ: 210.9997
3855 COLLISION_ENERGY: 3853 ADDUCT: [M+H]+
3854 COLLISION_ENERGY:
3855 INSTRUMENT_TYPE: LC-ESI-Orbitrap
3856 NUM PEAKS: 19 3856 NUM PEAKS: 19
3857 90.96726 85952.0 3857 90.96726 85952.0
3858 91.05441 657143.0 3858 91.05441 657143.0
3859 95.04928 118440.0 3859 95.04928 118440.0
3860 96.00319 401311.0 3860 96.00319 401311.0
3873 152.98305 216362.0 3873 152.98305 216362.0
3874 167.97003 464522.0 3874 167.97003 464522.0
3875 210.99977 327401.0 3875 210.99977 327401.0
3876 3876
3877 SCANNUMBER: 3267 3877 SCANNUMBER: 3267
3878 PRECURSORTYPE: [M+H]+
3879 IONMODE: Positive 3878 IONMODE: Positive
3880 SPECTRUMTYPE: Centroid 3879 SPECTRUMTYPE: Centroid
3881 FORMULA: C13H24N4O3S 3880 FORMULA: C13H24N4O3S
3882 INCHIKEY: DSKJPMWIHSOYEA-UHFFFAOYSA-N 3881 INCHIKEY: DSKJPMWIHSOYEA-UHFFFAOYSA-N
3883 INCHI: 3882 INCHI:
3884 SMILES: CCCCc1c(C)[nH]c(=NCC)nc1OS(=O)(=O)N(C)C 3883 SMILES: CCCCc1c(C)[nH]c(=NCC)nc1OS(=O)(=O)N(C)C
3885 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 3884 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
3886 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 3885 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
3887 INSTRUMENTTYPE: LC-ESI-Orbitrap
3888 IONIZATION: ESI+ 3886 IONIZATION: ESI+
3889 LICENSE: CC BY-NC 3887 LICENSE: CC BY-NC
3890 COMMENT: 3888 COMMENT:
3891 COMPOUND_NAME: Bupirimate 3889 COMPOUND_NAME: Bupirimate
3892 RETENTION_TIME: 6.076324 3890 RETENTION_TIME: 6.076324
3893 PRECURSOR_MZ: 317.1649 3891 PRECURSOR_MZ: 317.1649
3894 COLLISION_ENERGY: 3892 ADDUCT: [M+H]+
3893 COLLISION_ENERGY:
3894 INSTRUMENT_TYPE: LC-ESI-Orbitrap
3895 NUM PEAKS: 55 3895 NUM PEAKS: 55
3896 86.07153 235598.0 3896 86.07153 235598.0
3897 93.07003 108137.0 3897 93.07003 108137.0
3898 95.06072 255743.0 3898 95.06072 255743.0
3899 95.08585 244503.0 3899 95.08585 244503.0
3948 237.20732 1204267.0 3948 237.20732 1204267.0
3949 262.08615 349666.0 3949 262.08615 349666.0
3950 272.10626 143082.0 3950 272.10626 143082.0
3951 3951
3952 SCANNUMBER: 5627 3952 SCANNUMBER: 5627
3953 PRECURSORTYPE: [M+H]+
3954 IONMODE: Positive 3953 IONMODE: Positive
3955 SPECTRUMTYPE: Centroid 3954 SPECTRUMTYPE: Centroid
3956 FORMULA: C16H23N3OS 3955 FORMULA: C16H23N3OS
3957 INCHIKEY: PRLVTUNWOQKEAI-UHFFFAOYSA-N 3956 INCHIKEY: PRLVTUNWOQKEAI-UHFFFAOYSA-N
3958 INCHI: 3957 INCHI:
3959 SMILES: CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C 3958 SMILES: CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C
3960 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 3959 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
3961 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 3960 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
3962 INSTRUMENTTYPE: LC-ESI-Orbitrap
3963 IONIZATION: ESI+ 3961 IONIZATION: ESI+
3964 LICENSE: CC BY-NC 3962 LICENSE: CC BY-NC
3965 COMMENT: 3963 COMMENT:
3966 COMPOUND_NAME: Buprofezin 3964 COMPOUND_NAME: Buprofezin
3967 RETENTION_TIME: 7.028851 3965 RETENTION_TIME: 7.028851
3968 PRECURSOR_MZ: 306.1638 3966 PRECURSOR_MZ: 306.1638
3969 COLLISION_ENERGY: 3967 ADDUCT: [M+H]+
3968 COLLISION_ENERGY:
3969 INSTRUMENT_TYPE: LC-ESI-Orbitrap
3970 NUM PEAKS: 7 3970 NUM PEAKS: 7
3971 86.06017 3955916.0 3971 86.06017 3955916.0
3972 95.04928 722739.0 3972 95.04928 722739.0
3973 102.03746 765607.0 3973 102.03746 765607.0
3974 102.99629 1020337.0 3974 102.99629 1020337.0
3975 106.06516 49438552.0 3975 106.06516 49438552.0
3976 145.04333 786651.0 3976 145.04333 786651.0
3977 208.05412 1036458.0 3977 208.05412 1036458.0
3978 3978
3979 SCANNUMBER: 2650 3979 SCANNUMBER: 2650
3980 PRECURSORTYPE: [M+H]+
3981 IONMODE: Positive 3980 IONMODE: Positive
3982 SPECTRUMTYPE: Centroid 3981 SPECTRUMTYPE: Centroid
3983 FORMULA: C12H13NO2S 3982 FORMULA: C12H13NO2S
3984 INCHIKEY: GYSSRZJIHXQEHQ-UHFFFAOYSA-N 3983 INCHIKEY: GYSSRZJIHXQEHQ-UHFFFAOYSA-N
3985 INCHI: 3984 INCHI:
3986 SMILES: OC(=Nc1ccccc1)C1=C(C)OCCS1 3985 SMILES: OC(=Nc1ccccc1)C1=C(C)OCCS1
3987 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 3986 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
3988 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 3987 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
3989 INSTRUMENTTYPE: LC-ESI-Orbitrap
3990 IONIZATION: ESI+ 3988 IONIZATION: ESI+
3991 LICENSE: CC BY-NC 3989 LICENSE: CC BY-NC
3992 COMMENT: 3990 COMMENT:
3993 COMPOUND_NAME: Carboxin 3991 COMPOUND_NAME: Carboxin
3994 RETENTION_TIME: 5.514598 3992 RETENTION_TIME: 5.514598
3995 PRECURSOR_MZ: 236.0745 3993 PRECURSOR_MZ: 236.0745
3996 COLLISION_ENERGY: 3994 ADDUCT: [M+H]+
3995 COLLISION_ENERGY:
3996 INSTRUMENT_TYPE: LC-ESI-Orbitrap
3997 NUM PEAKS: 21 3997 NUM PEAKS: 21
3998 86.99005 83162.0 3998 86.99005 83162.0
3999 89.00569 35962.0 3999 89.00569 35962.0
4000 92.0498 113299.0 4000 92.0498 113299.0
4001 93.0575 2928372.0 4001 93.0575 2928372.0
4016 162.03714 126130.0 4016 162.03714 126130.0
4017 165.02444 140508.0 4017 165.02444 140508.0
4018 166.03207 97516.0 4018 166.03207 97516.0
4019 4019
4020 SCANNUMBER: 4128 4020 SCANNUMBER: 4128
4021 PRECURSORTYPE: [M+H]+
4022 IONMODE: Positive 4021 IONMODE: Positive
4023 SPECTRUMTYPE: Centroid 4022 SPECTRUMTYPE: Centroid
4024 FORMULA: C17H26NO3ClS 4023 FORMULA: C17H26NO3ClS
4025 INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N 4024 INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N
4026 INCHI: 4025 INCHI:
4027 SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C 4026 SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C
4028 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 4027 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
4029 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 4028 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
4030 INSTRUMENTTYPE: LC-ESI-Orbitrap
4031 IONIZATION: ESI+ 4029 IONIZATION: ESI+
4032 LICENSE: CC BY-NC 4030 LICENSE: CC BY-NC
4033 COMMENT: 4031 COMMENT:
4034 COMPOUND_NAME: Clethodim_1 4032 COMPOUND_NAME: Clethodim_1
4035 RETENTION_TIME: 6.687163 4033 RETENTION_TIME: 6.687163
4036 PRECURSOR_MZ: 360.1401 4034 PRECURSOR_MZ: 360.1401
4037 COLLISION_ENERGY: 4035 ADDUCT: [M+H]+
4036 COLLISION_ENERGY:
4037 INSTRUMENT_TYPE: LC-ESI-Orbitrap
4038 NUM PEAKS: 93 4038 NUM PEAKS: 93
4039 89.0422 26517.0 4039 89.0422 26517.0
4040 91.05441 49957.0 4040 91.05441 49957.0
4041 92.04956 6055.0 4041 92.04956 6055.0
4042 93.0575 11783.0 4042 93.0575 11783.0
4129 206.11787 6696.0 4129 206.11787 6696.0
4130 212.11047 16431.0 4130 212.11047 16431.0
4131 240.10542 8682.0 4131 240.10542 8682.0
4132 4132
4133 SCANNUMBER: 7016 4133 SCANNUMBER: 7016
4134 PRECURSORTYPE: [M+H]+
4135 IONMODE: Positive 4134 IONMODE: Positive
4136 SPECTRUMTYPE: Centroid 4135 SPECTRUMTYPE: Centroid
4137 FORMULA: C17H26NO3ClS 4136 FORMULA: C17H26NO3ClS
4138 INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N 4137 INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N
4139 INCHI: 4138 INCHI:
4140 SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C 4139 SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C
4141 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 4140 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
4142 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 4141 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
4143 INSTRUMENTTYPE: LC-ESI-Orbitrap
4144 IONIZATION: ESI+ 4142 IONIZATION: ESI+
4145 LICENSE: CC BY-NC 4143 LICENSE: CC BY-NC
4146 COMMENT: 4144 COMMENT:
4147 COMPOUND_NAME: Clethodim_2 4145 COMPOUND_NAME: Clethodim_2
4148 RETENTION_TIME: 7.277172 4146 RETENTION_TIME: 7.277172
4149 PRECURSOR_MZ: 360.1401 4147 PRECURSOR_MZ: 360.1401
4150 COLLISION_ENERGY: 4148 ADDUCT: [M+H]+
4149 COLLISION_ENERGY:
4150 INSTRUMENT_TYPE: LC-ESI-Orbitrap
4151 NUM PEAKS: 68 4151 NUM PEAKS: 68
4152 89.0422 98238.0 4152 89.0422 98238.0
4153 91.05464 171745.0 4153 91.05464 171745.0
4154 93.05774 38046.0 4154 93.05774 38046.0
4155 93.07027 136004.0 4155 93.07027 136004.0
4217 208.13387 37258.0 4217 208.13387 37258.0
4218 212.11047 103531.0 4218 212.11047 103531.0
4219 240.10542 87328.0 4219 240.10542 87328.0
4220 4220
4221 SCANNUMBER: 1358 4221 SCANNUMBER: 1358
4222 PRECURSORTYPE: [M+H]+
4223 IONMODE: Positive 4222 IONMODE: Positive
4224 SPECTRUMTYPE: Centroid 4223 SPECTRUMTYPE: Centroid
4225 FORMULA: C6H8N5O2ClS 4224 FORMULA: C6H8N5O2ClS
4226 INCHIKEY: PGOOBECODWQEAB-UHFFFAOYSA-N 4225 INCHIKEY: PGOOBECODWQEAB-UHFFFAOYSA-N
4227 INCHI: 4226 INCHI:
4228 SMILES: CN=C(NN(=O)=O)NCc1cnc(s1)Cl 4227 SMILES: CN=C(NN(=O)=O)NCc1cnc(s1)Cl
4229 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 4228 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
4230 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 4229 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
4231 INSTRUMENTTYPE: LC-ESI-Orbitrap
4232 IONIZATION: ESI+ 4230 IONIZATION: ESI+
4233 LICENSE: CC BY-NC 4231 LICENSE: CC BY-NC
4234 COMMENT: 4232 COMMENT:
4235 COMPOUND_NAME: Clothianidin 4233 COMPOUND_NAME: Clothianidin
4236 RETENTION_TIME: 2.767634 4234 RETENTION_TIME: 2.767634
4237 PRECURSOR_MZ: 250.0162 4235 PRECURSOR_MZ: 250.0162
4238 COLLISION_ENERGY: 4236 ADDUCT: [M+H]+
4237 COLLISION_ENERGY:
4238 INSTRUMENT_TYPE: LC-ESI-Orbitrap
4239 NUM PEAKS: 12 4239 NUM PEAKS: 12
4240 113.01702 68898.0 4240 113.01702 68898.0
4241 131.96729 1556136.0 4241 131.96729 1556136.0
4242 146.97801 24619.0 4242 146.97801 24619.0
4243 168.04659 701063.0 4243 168.04659 701063.0
4249 206.01546 199604.0 4249 206.01546 199604.0
4250 220.01871 34828.0 4250 220.01871 34828.0
4251 250.01668 782407.0 4251 250.01668 782407.0
4252 4252
4253 SCANNUMBER: 4651 4253 SCANNUMBER: 4651
4254 PRECURSORTYPE: [M+H]+
4255 IONMODE: Positive 4254 IONMODE: Positive
4256 SPECTRUMTYPE: Centroid 4255 SPECTRUMTYPE: Centroid
4257 FORMULA: C13H13N4O2ClS 4256 FORMULA: C13H13N4O2ClS
4258 INCHIKEY: YXKMMRDKEKCERS-UHFFFAOYSA-N 4257 INCHIKEY: YXKMMRDKEKCERS-UHFFFAOYSA-N
4259 INCHI: 4258 INCHI:
4260 SMILES: N#Cc1nc(c(n1S(=O)(=O)N(C)C)c1ccc(cc1)C)Cl 4259 SMILES: N#Cc1nc(c(n1S(=O)(=O)N(C)C)c1ccc(cc1)C)Cl
4261 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 4260 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
4262 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 4261 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
4263 INSTRUMENTTYPE: LC-ESI-Orbitrap
4264 IONIZATION: ESI+ 4262 IONIZATION: ESI+
4265 LICENSE: CC BY-NC 4263 LICENSE: CC BY-NC
4266 COMMENT: 4264 COMMENT:
4267 COMPOUND_NAME: Cyazofamid 4265 COMPOUND_NAME: Cyazofamid
4268 RETENTION_TIME: 6.824718 4266 RETENTION_TIME: 6.824718
4269 PRECURSOR_MZ: 325.0526 4267 PRECURSOR_MZ: 325.0526
4270 COLLISION_ENERGY: 4268 ADDUCT: [M+H]+
4269 COLLISION_ENERGY:
4270 INSTRUMENT_TYPE: LC-ESI-Orbitrap
4271 NUM PEAKS: 14 4271 NUM PEAKS: 14
4272 108.01175 7160721.0 4272 108.01175 7160721.0
4273 216.03249 215458.0 4273 216.03249 215458.0
4274 217.0407 634975.0 4274 217.0407 634975.0
4275 218.0482 106134.0 4275 218.0482 106134.0
4283 325.052 1817226.0 4283 325.052 1817226.0
4284 325.14325 121241.0 4284 325.14325 121241.0
4285 325.23611 85648.0 4285 325.23611 85648.0
4286 4286
4287 SCANNUMBER: 2873 4287 SCANNUMBER: 2873
4288 PRECURSORTYPE: [M+H]+
4289 IONMODE: Positive 4288 IONMODE: Positive
4290 SPECTRUMTYPE: Centroid 4289 SPECTRUMTYPE: Centroid
4291 FORMULA: C13H9N4OCl2F3S 4290 FORMULA: C13H9N4OCl2F3S
4292 INCHIKEY: FNELVJVBIYMIMC-UHFFFAOYSA-N 4291 INCHIKEY: FNELVJVBIYMIMC-UHFFFAOYSA-N
4293 INCHI: 4292 INCHI:
4294 SMILES: N#Cc1nn(c(c1S(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F 4293 SMILES: N#Cc1nn(c(c1S(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F
4295 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 4294 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
4296 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 4295 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
4297 INSTRUMENTTYPE: LC-ESI-Orbitrap
4298 IONIZATION: ESI+ 4296 IONIZATION: ESI+
4299 LICENSE: CC BY-NC 4297 LICENSE: CC BY-NC
4300 COMMENT: 4298 COMMENT:
4301 COMPOUND_NAME: Ethiprole 4299 COMPOUND_NAME: Ethiprole
4302 RETENTION_TIME: 5.828761 4300 RETENTION_TIME: 5.828761
4303 PRECURSOR_MZ: 396.991 4301 PRECURSOR_MZ: 396.991
4304 COLLISION_ENERGY: 4302 ADDUCT: [M+H]+
4303 COLLISION_ENERGY:
4304 INSTRUMENT_TYPE: LC-ESI-Orbitrap
4305 NUM PEAKS: 11 4305 NUM PEAKS: 11
4306 212.94865 522963.0 4306 212.94865 522963.0
4307 227.9595 466048.0 4307 227.9595 466048.0
4308 240.95441 720208.0 4308 240.95441 720208.0
4309 254.9706 13822754.0 4309 254.9706 13822754.0
4314 315.97946 548987.0 4314 315.97946 548987.0
4315 323.93817 233169.0 4315 323.93817 233169.0
4316 350.94952 1933706.0 4316 350.94952 1933706.0
4317 4317
4318 SCANNUMBER: 3176 4318 SCANNUMBER: 3176
4319 PRECURSORTYPE: [M+H]+
4320 IONMODE: Positive 4319 IONMODE: Positive
4321 SPECTRUMTYPE: Centroid 4320 SPECTRUMTYPE: Centroid
4322 FORMULA: C13H18O5S 4321 FORMULA: C13H18O5S
4323 INCHIKEY: IRCMYGHHKLLGHV-GFCCVEGCSA-N 4322 INCHIKEY: IRCMYGHHKLLGHV-GFCCVEGCSA-N
4324 INCHI: 4323 INCHI:
4325 SMILES: CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C 4324 SMILES: CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C
4326 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 4325 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
4327 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 4326 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
4328 INSTRUMENTTYPE: LC-ESI-Orbitrap
4329 IONIZATION: ESI+ 4327 IONIZATION: ESI+
4330 LICENSE: CC BY-NC 4328 LICENSE: CC BY-NC
4331 COMMENT: 4329 COMMENT:
4332 COMPOUND_NAME: Ethofumesate 4330 COMPOUND_NAME: Ethofumesate
4333 RETENTION_TIME: 6.01901 4331 RETENTION_TIME: 6.01901
4334 PRECURSOR_MZ: 287.0957 4332 PRECURSOR_MZ: 287.0957
4335 COLLISION_ENERGY: 4333 ADDUCT: [M+H]+
4334 COLLISION_ENERGY:
4335 INSTRUMENT_TYPE: LC-ESI-Orbitrap
4336 NUM PEAKS: 10 4336 NUM PEAKS: 10
4337 121.06523 2086509.0 4337 121.06523 2086509.0
4338 149.09618 158152.0 4338 149.09618 158152.0
4339 161.0601 278315.0 4339 161.0601 278315.0
4340 162.0676 51729.0 4340 162.0676 51729.0
4344 259.06424 3450423.0 4344 259.06424 3450423.0
4345 277.07498 105295.0 4345 277.07498 105295.0
4346 287.09497 1000737.0 4346 287.09497 1000737.0
4347 4347
4348 SCANNUMBER: 4022 4348 SCANNUMBER: 4022
4349 PRECURSORTYPE: [M+H]+
4350 IONMODE: Positive 4349 IONMODE: Positive
4351 SPECTRUMTYPE: Centroid 4350 SPECTRUMTYPE: Centroid
4352 FORMULA: C17H17N3OS 4351 FORMULA: C17H17N3OS
4353 INCHIKEY: LMVPQMGRYSRMIW-KRWDZBQOSA-N 4352 INCHIKEY: LMVPQMGRYSRMIW-KRWDZBQOSA-N
4354 INCHI: 4353 INCHI:
4355 SMILES: CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1 4354 SMILES: CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1
4356 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 4355 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
4357 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 4356 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
4358 INSTRUMENTTYPE: LC-ESI-Orbitrap
4359 IONIZATION: ESI+ 4357 IONIZATION: ESI+
4360 LICENSE: CC BY-NC 4358 LICENSE: CC BY-NC
4361 COMMENT: 4359 COMMENT:
4362 COMPOUND_NAME: Fenamidone 4360 COMPOUND_NAME: Fenamidone
4363 RETENTION_TIME: 6.626915 4361 RETENTION_TIME: 6.626915
4364 PRECURSOR_MZ: 312.1172 4362 PRECURSOR_MZ: 312.1172
4365 COLLISION_ENERGY: 4363 ADDUCT: [M+H]+
4364 COLLISION_ENERGY:
4365 INSTRUMENT_TYPE: LC-ESI-Orbitrap
4366 NUM PEAKS: 23 4366 NUM PEAKS: 23
4367 92.0498 32114948.0 4367 92.0498 32114948.0
4368 103.05439 9639649.0 4368 103.05439 9639649.0
4369 104.04984 654872.0 4369 104.04984 654872.0
4370 118.05279 339058.0 4370 118.05279 339058.0
4387 221.0947 1138537.0 4387 221.0947 1138537.0
4388 236.11884 5452674.0 4388 236.11884 5452674.0
4389 237.04855 688489.0 4389 237.04855 688489.0
4390 4390
4391 SCANNUMBER: 3428 4391 SCANNUMBER: 3428
4392 PRECURSORTYPE: [M+H]+
4393 IONMODE: Positive 4392 IONMODE: Positive
4394 SPECTRUMTYPE: Centroid 4393 SPECTRUMTYPE: Centroid
4395 FORMULA: C12H4N4OCl2F6S 4394 FORMULA: C12H4N4OCl2F6S
4396 INCHIKEY: ZOCSXAVNDGMNBV-UHFFFAOYSA-N 4395 INCHIKEY: ZOCSXAVNDGMNBV-UHFFFAOYSA-N
4397 INCHI: 4396 INCHI:
4398 SMILES: N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F 4397 SMILES: N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F
4399 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 4398 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
4400 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 4399 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
4401 INSTRUMENTTYPE: LC-ESI-Orbitrap
4402 IONIZATION: ESI+ 4400 IONIZATION: ESI+
4403 LICENSE: CC BY-NC 4401 LICENSE: CC BY-NC
4404 COMMENT: 4402 COMMENT:
4405 COMPOUND_NAME: Fipronil 4403 COMPOUND_NAME: Fipronil
4406 RETENTION_TIME: 6.367518 4404 RETENTION_TIME: 6.367518
4407 PRECURSOR_MZ: 436.9474 4405 PRECURSOR_MZ: 436.9474
4408 COLLISION_ENERGY: 4406 ADDUCT: [M+H]+
4407 COLLISION_ENERGY:
4408 INSTRUMENT_TYPE: LC-ESI-Orbitrap
4409 NUM PEAKS: 44 4409 NUM PEAKS: 44
4410 85.96982 4313.0 4410 85.96982 4313.0
4411 113.00444 3712.0 4411 113.00444 3712.0
4412 113.98832 5133.0 4412 113.98832 5133.0
4413 139.99144 7362.0 4413 139.99144 7362.0
4451 341.94772 7327.0 4451 341.94772 7327.0
4452 350.94775 6206.0 4452 350.94775 6206.0
4453 367.95102 6446.0 4453 367.95102 6446.0
4454 4454
4455 SCANNUMBER: 3663 4455 SCANNUMBER: 3663
4456 PRECURSORTYPE: [M+H]+
4457 IONMODE: Positive 4456 IONMODE: Positive
4458 SPECTRUMTYPE: Centroid 4457 SPECTRUMTYPE: Centroid
4459 FORMULA: C14H13N3O2F4S 4458 FORMULA: C14H13N3O2F4S
4460 INCHIKEY: IANUJLZYFUDJIH-UHFFFAOYSA-N 4459 INCHIKEY: IANUJLZYFUDJIH-UHFFFAOYSA-N
4461 INCHI: 4460 INCHI:
4462 SMILES: Fc1ccc(cc1)N(C(=O)COc1nnc(s1)C(F)(F)F)C(C)C 4461 SMILES: Fc1ccc(cc1)N(C(=O)COc1nnc(s1)C(F)(F)F)C(C)C
4463 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 4462 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
4464 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 4463 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
4465 INSTRUMENTTYPE: LC-ESI-Orbitrap
4466 IONIZATION: ESI+ 4464 IONIZATION: ESI+
4467 LICENSE: CC BY-NC 4465 LICENSE: CC BY-NC
4468 COMMENT: 4466 COMMENT:
4469 COMPOUND_NAME: Flufenacet 4467 COMPOUND_NAME: Flufenacet
4470 RETENTION_TIME: 6.476889 4468 RETENTION_TIME: 6.476889
4471 PRECURSOR_MZ: 364.0744 4469 PRECURSOR_MZ: 364.0744
4472 COLLISION_ENERGY: 4470 ADDUCT: [M+H]+
4471 COLLISION_ENERGY:
4472 INSTRUMENT_TYPE: LC-ESI-Orbitrap
4473 NUM PEAKS: 5 4473 NUM PEAKS: 5
4474 124.05603 201655.0 4474 124.05603 201655.0
4475 152.0509 5487354.0 4475 152.0509 5487354.0
4476 152.08713 528888.0 4476 152.08713 528888.0
4477 194.09782 19271964.0 4477 194.09782 19271964.0
4478 364.07422 2107439.0 4478 364.07422 2107439.0
4479 4479
4480 SCANNUMBER: 7986 4480 SCANNUMBER: 7986
4481 PRECURSORTYPE: [M+H]+
4482 IONMODE: Positive 4481 IONMODE: Positive
4483 SPECTRUMTYPE: Centroid 4482 SPECTRUMTYPE: Centroid
4484 FORMULA: C17H21N2O2ClS 4483 FORMULA: C17H21N2O2ClS
4485 INCHIKEY: XGWIJUOSCAQSSV-XHDPSFHLSA-N 4484 INCHIKEY: XGWIJUOSCAQSSV-XHDPSFHLSA-N
4486 INCHI: 4485 INCHI:
4487 SMILES: CC1N(C(=O)SC1c1ccc(cc1)Cl)C(=NC1CCCCC1)O 4486 SMILES: CC1N(C(=O)SC1c1ccc(cc1)Cl)C(=NC1CCCCC1)O
4488 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 4487 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
4489 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 4488 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
4490 INSTRUMENTTYPE: LC-ESI-Orbitrap
4491 IONIZATION: ESI+ 4489 IONIZATION: ESI+
4492 LICENSE: CC BY-NC 4490 LICENSE: CC BY-NC
4493 COMMENT: 4491 COMMENT:
4494 COMPOUND_NAME: Hexythiazox 4492 COMPOUND_NAME: Hexythiazox
4495 RETENTION_TIME: 7.46046 4493 RETENTION_TIME: 7.46046
4496 PRECURSOR_MZ: 353.1096 4494 PRECURSOR_MZ: 353.1096
4497 COLLISION_ENERGY: 4495 ADDUCT: [M+H]+
4496 COLLISION_ENERGY:
4497 INSTRUMENT_TYPE: LC-ESI-Orbitrap
4498 NUM PEAKS: 18 4498 NUM PEAKS: 18
4499 115.0543 1419536.0 4499 115.0543 1419536.0
4500 116.06212 1728574.0 4500 116.06212 1728574.0
4501 117.05739 141175.0 4501 117.05739 141175.0
4502 125.01533 77703.0 4502 125.01533 77703.0
4514 194.03688 1165217.0 4514 194.03688 1165217.0
4515 210.01369 101590.0 4515 210.01369 101590.0
4516 228.02509 203533.0 4516 228.02509 203533.0
4517 4517
4518 SCANNUMBER: 6090 4518 SCANNUMBER: 6090
4519 PRECURSORTYPE: [M+H]+
4520 IONMODE: Positive 4519 IONMODE: Positive
4521 SPECTRUMTYPE: Centroid 4520 SPECTRUMTYPE: Centroid
4522 FORMULA: C16H14N2O2S 4521 FORMULA: C16H14N2O2S
4523 INCHIKEY: XIGAUIHYSDTJHW-UHFFFAOYSA-N 4522 INCHIKEY: XIGAUIHYSDTJHW-UHFFFAOYSA-N
4524 INCHI: 4523 INCHI:
4525 SMILES: O=C(N(c1ccccc1)C)COc1nc2c(s1)cccc2 4524 SMILES: O=C(N(c1ccccc1)C)COc1nc2c(s1)cccc2
4526 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 4525 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
4527 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 4526 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
4528 INSTRUMENTTYPE: LC-ESI-Orbitrap
4529 IONIZATION: ESI+ 4527 IONIZATION: ESI+
4530 LICENSE: CC BY-NC 4528 LICENSE: CC BY-NC
4531 COMMENT: 4529 COMMENT:
4532 COMPOUND_NAME: Mefenacet 4530 COMPOUND_NAME: Mefenacet
4533 RETENTION_TIME: 7.143147 4531 RETENTION_TIME: 7.143147
4534 PRECURSOR_MZ: 299.0857 4532 PRECURSOR_MZ: 299.0857
4535 COLLISION_ENERGY: 4533 ADDUCT: [M+H]+
4534 COLLISION_ENERGY:
4535 INSTRUMENT_TYPE: LC-ESI-Orbitrap
4536 NUM PEAKS: 10 4536 NUM PEAKS: 10
4537 91.05441 4904942.0 4537 91.05441 4904942.0
4538 93.07003 396728.0 4538 93.07003 396728.0
4539 95.04928 309109.0 4539 95.04928 309109.0
4540 103.05439 240325.0 4540 103.05439 240325.0
4544 136.02161 2145909.0 4544 136.02161 2145909.0
4545 148.0759 2833957.0 4545 148.0759 2833957.0
4546 152.01669 272045.0 4546 152.01669 272045.0
4547 4547
4548 SCANNUMBER: 1880 4548 SCANNUMBER: 1880
4549 PRECURSORTYPE: [M+H]+
4550 IONMODE: Positive 4549 IONMODE: Positive
4551 SPECTRUMTYPE: Centroid 4550 SPECTRUMTYPE: Centroid
4552 FORMULA: C14H13NO7S 4551 FORMULA: C14H13NO7S
4553 INCHIKEY: KPUREKXXPHOJQT-UHFFFAOYSA-N 4552 INCHIKEY: KPUREKXXPHOJQT-UHFFFAOYSA-N
4554 INCHI: 4553 INCHI:
4555 SMILES: O=C1CCCC(=O)C1C(=O)c1ccc(cc1N(=O)=O)S(=O)(=O)C 4554 SMILES: O=C1CCCC(=O)C1C(=O)c1ccc(cc1N(=O)=O)S(=O)(=O)C
4556 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 4555 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
4557 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 4556 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
4558 INSTRUMENTTYPE: LC-ESI-Orbitrap
4559 IONIZATION: ESI+ 4557 IONIZATION: ESI+
4560 LICENSE: CC BY-NC 4558 LICENSE: CC BY-NC
4561 COMMENT: 4559 COMMENT:
4562 COMPOUND_NAME: Mesotrione 4560 COMPOUND_NAME: Mesotrione
4563 RETENTION_TIME: 4.438974 4561 RETENTION_TIME: 4.438974
4564 PRECURSOR_MZ: 340.0492 4562 PRECURSOR_MZ: 340.0492
4565 COLLISION_ENERGY: 4563 ADDUCT: [M+H]+
4564 COLLISION_ENERGY:
4565 INSTRUMENT_TYPE: LC-ESI-Orbitrap
4566 NUM PEAKS: 21 4566 NUM PEAKS: 21
4567 92.0498 20384.0 4567 92.0498 20384.0
4568 94.02896 22521.0 4568 94.02896 22521.0
4569 95.01298 42541.0 4569 95.01298 42541.0
4570 104.01339 1414098.0 4570 104.01339 1414098.0
4585 275.03772 37760.0 4585 275.03772 37760.0
4586 293.04776 19676.0 4586 293.04776 19676.0
4587 294.05606 18376.0 4587 294.05606 18376.0
4588 4588
4589 SCANNUMBER: 2365 4589 SCANNUMBER: 2365
4590 PRECURSORTYPE: [M+H]+
4591 IONMODE: Positive 4590 IONMODE: Positive
4592 SPECTRUMTYPE: Centroid 4591 SPECTRUMTYPE: Centroid
4593 FORMULA: C11H21N5OS 4592 FORMULA: C11H21N5OS
4594 INCHIKEY: DDUIUBPJPOKOMV-UHFFFAOYSA-N 4593 INCHIKEY: DDUIUBPJPOKOMV-UHFFFAOYSA-N
4595 INCHI: 4594 INCHI:
4596 SMILES: COCCCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1 4595 SMILES: COCCCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1
4597 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 4596 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
4598 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 4597 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
4599 INSTRUMENTTYPE: LC-ESI-Orbitrap
4600 IONIZATION: ESI+ 4598 IONIZATION: ESI+
4601 LICENSE: CC BY-NC 4599 LICENSE: CC BY-NC
4602 COMMENT: 4600 COMMENT:
4603 COMPOUND_NAME: Methoprotryne 4601 COMPOUND_NAME: Methoprotryne
4604 RETENTION_TIME: 4.953537 4602 RETENTION_TIME: 4.953537
4605 PRECURSOR_MZ: 272.1545 4603 PRECURSOR_MZ: 272.1545
4606 COLLISION_ENERGY: 4604 ADDUCT: [M+H]+
4605 COLLISION_ENERGY:
4606 INSTRUMENT_TYPE: LC-ESI-Orbitrap
4607 NUM PEAKS: 15 4607 NUM PEAKS: 15
4608 91.03273 1224280.0 4608 91.03273 1224280.0
4609 103.03277 469421.0 4609 103.03277 469421.0
4610 108.05575 1098439.0 4610 108.05575 1098439.0
4611 116.0279 2387399.0 4611 116.0279 2387399.0
4620 212.09639 2176296.0 4620 212.09639 2176296.0
4621 230.10741 452827.0 4621 230.10741 452827.0
4622 240.1284 1276547.0 4622 240.1284 1276547.0
4623 4623
4624 SCANNUMBER: 1932 4624 SCANNUMBER: 1932
4625 PRECURSORTYPE: [M+H]+
4626 IONMODE: Positive 4625 IONMODE: Positive
4627 SPECTRUMTYPE: Centroid 4626 SPECTRUMTYPE: Centroid
4628 FORMULA: C8H14N4OS 4627 FORMULA: C8H14N4OS
4629 INCHIKEY: FOXFZRUHNHCZPX-UHFFFAOYSA-N 4628 INCHIKEY: FOXFZRUHNHCZPX-UHFFFAOYSA-N
4630 INCHI: 4629 INCHI:
4631 SMILES: CSc1nnc(c(=O)n1N)C(C)(C)C 4630 SMILES: CSc1nnc(c(=O)n1N)C(C)(C)C
4632 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 4631 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
4633 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 4632 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
4634 INSTRUMENTTYPE: LC-ESI-Orbitrap
4635 IONIZATION: ESI+ 4633 IONIZATION: ESI+
4636 LICENSE: CC BY-NC 4634 LICENSE: CC BY-NC
4637 COMMENT: 4635 COMMENT:
4638 COMPOUND_NAME: Metribuzin 4636 COMPOUND_NAME: Metribuzin
4639 RETENTION_TIME: 4.458099 4637 RETENTION_TIME: 4.458099
4640 PRECURSOR_MZ: 215.0965 4638 PRECURSOR_MZ: 215.0965
4641 COLLISION_ENERGY: 4639 ADDUCT: [M+H]+
4640 COLLISION_ENERGY:
4641 INSTRUMENT_TYPE: LC-ESI-Orbitrap
4642 NUM PEAKS: 62 4642 NUM PEAKS: 62
4643 85.08886 22454.0 4643 85.08886 22454.0
4644 87.00137 169483.0 4644 87.00137 169483.0
4645 88.00926 84542.0 4645 88.00926 84542.0
4646 89.01718 426359.0 4646 89.01718 426359.0
4702 186.08231 47791.0 4702 186.08231 47791.0
4703 187.10153 1851092.0 4703 187.10153 1851092.0
4704 215.09644 112225.0 4704 215.09644 112225.0
4705 4705
4706 SCANNUMBER: 2407 4706 SCANNUMBER: 2407
4707 PRECURSORTYPE: [M+H]+
4708 IONMODE: Positive 4707 IONMODE: Positive
4709 SPECTRUMTYPE: Centroid 4708 SPECTRUMTYPE: Centroid
4710 FORMULA: C10H19N5S 4709 FORMULA: C10H19N5S
4711 INCHIKEY: AAEVYOVXGOFMJO-UHFFFAOYSA-N 4710 INCHIKEY: AAEVYOVXGOFMJO-UHFFFAOYSA-N
4712 INCHI: 4711 INCHI:
4713 SMILES: CSc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1 4712 SMILES: CSc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
4714 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 4713 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
4715 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 4714 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
4716 INSTRUMENTTYPE: LC-ESI-Orbitrap
4717 IONIZATION: ESI+ 4715 IONIZATION: ESI+
4718 LICENSE: CC BY-NC 4716 LICENSE: CC BY-NC
4719 COMMENT: 4717 COMMENT:
4720 COMPOUND_NAME: Prometryne 4718 COMPOUND_NAME: Prometryne
4721 RETENTION_TIME: 4.990861 4719 RETENTION_TIME: 4.990861
4722 PRECURSOR_MZ: 242.1439 4720 PRECURSOR_MZ: 242.1439
4723 COLLISION_ENERGY: 4721 ADDUCT: [M+H]+
4722 COLLISION_ENERGY:
4723 INSTRUMENT_TYPE: LC-ESI-Orbitrap
4724 NUM PEAKS: 15 4724 NUM PEAKS: 15
4725 85.05116 4457818.0 4725 85.05116 4457818.0
4726 91.03273 8009682.0 4726 91.03273 8009682.0
4727 96.05572 6069758.0 4727 96.05572 6069758.0
4728 102.03746 367626.0 4728 102.03746 367626.0
4737 173.50693 425480.0 4737 173.50693 425480.0
4738 186.08095 16656961.0 4738 186.08095 16656961.0
4739 200.09659 2036050.0 4739 200.09659 2036050.0
4740 4740
4741 SCANNUMBER: 8415 4741 SCANNUMBER: 8415
4742 PRECURSORTYPE: [M+H]+
4743 IONMODE: Positive 4742 IONMODE: Positive
4744 SPECTRUMTYPE: Centroid 4743 SPECTRUMTYPE: Centroid
4745 FORMULA: C19H25N2OClS 4744 FORMULA: C19H25N2OClS
4746 INCHIKEY: DWFZBUWUXWZWKD-UHFFFAOYSA-N 4745 INCHIKEY: DWFZBUWUXWZWKD-UHFFFAOYSA-N
4747 INCHI: 4746 INCHI:
4748 SMILES: O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C 4747 SMILES: O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C
4749 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 4748 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
4750 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 4749 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
4751 INSTRUMENTTYPE: LC-ESI-Orbitrap
4752 IONIZATION: ESI+ 4750 IONIZATION: ESI+
4753 LICENSE: CC BY-NC 4751 LICENSE: CC BY-NC
4754 COMMENT: 4752 COMMENT:
4755 COMPOUND_NAME: Pyridaben 4753 COMPOUND_NAME: Pyridaben
4756 RETENTION_TIME: 7.556859 4754 RETENTION_TIME: 7.556859
4757 PRECURSOR_MZ: 365.1459 4755 PRECURSOR_MZ: 365.1459
4758 COLLISION_ENERGY: 4756 ADDUCT: [M+H]+
4757 COLLISION_ENERGY:
4758 INSTRUMENT_TYPE: LC-ESI-Orbitrap
4759 NUM PEAKS: 3 4759 NUM PEAKS: 3
4760 147.11726 1746679.0 4760 147.11726 1746679.0
4761 309.0834 39061400.0 4761 309.0834 39061400.0
4762 365.14478 6893662.0 4762 365.14478 6893662.0
4763 4763
4764 SCANNUMBER: 1608 4764 SCANNUMBER: 1608
4765 PRECURSORTYPE: [M+H]+
4766 IONMODE: Positive 4765 IONMODE: Positive
4767 SPECTRUMTYPE: Centroid 4766 SPECTRUMTYPE: Centroid
4768 FORMULA: C8H15N5S 4767 FORMULA: C8H15N5S
4769 INCHIKEY: MGLWZSOBALDPEK-UHFFFAOYSA-N 4768 INCHIKEY: MGLWZSOBALDPEK-UHFFFAOYSA-N
4770 INCHI: 4769 INCHI:
4771 SMILES: CCN=c1nc(SC)[nH]c(=NCC)[nH]1 4770 SMILES: CCN=c1nc(SC)[nH]c(=NCC)[nH]1
4772 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 4771 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
4773 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 4772 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
4774 INSTRUMENTTYPE: LC-ESI-Orbitrap
4775 IONIZATION: ESI+ 4773 IONIZATION: ESI+
4776 LICENSE: CC BY-NC 4774 LICENSE: CC BY-NC
4777 COMMENT: 4775 COMMENT:
4778 COMPOUND_NAME: Simetryn 4776 COMPOUND_NAME: Simetryn
4779 RETENTION_TIME: 3.75983 4777 RETENTION_TIME: 3.75983
4780 PRECURSOR_MZ: 214.1124 4778 PRECURSOR_MZ: 214.1124
4781 COLLISION_ENERGY: 4779 ADDUCT: [M+H]+
4780 COLLISION_ENERGY:
4781 INSTRUMENT_TYPE: LC-ESI-Orbitrap
4782 NUM PEAKS: 12 4782 NUM PEAKS: 12
4783 91.03273 299056.0 4783 91.03273 299056.0
4784 96.05597 10435853.0 4784 96.05597 10435853.0
4785 102.03746 159989.0 4785 102.03746 159989.0
4786 113.0825 349517.0 4786 113.0825 349517.0
4792 166.10905 576911.0 4792 166.10905 576911.0
4793 186.08095 411980.0 4793 186.08095 411980.0
4794 214.11266 506708.0 4794 214.11266 506708.0
4795 4795
4796 SCANNUMBER: 2110 4796 SCANNUMBER: 2110
4797 PRECURSORTYPE: [M+H]+
4798 IONMODE: Positive 4797 IONMODE: Positive
4799 SPECTRUMTYPE: Centroid 4798 SPECTRUMTYPE: Centroid
4800 FORMULA: C11H10N4O3Cl2F2S 4799 FORMULA: C11H10N4O3Cl2F2S
4801 INCHIKEY: OORLZFUTLGXMEF-UHFFFAOYSA-N 4800 INCHIKEY: OORLZFUTLGXMEF-UHFFFAOYSA-N
4802 INCHI: 4801 INCHI:
4803 SMILES: Clc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS(=O)(=O)C 4802 SMILES: Clc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS(=O)(=O)C
4804 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 4803 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
4805 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 4804 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
4806 INSTRUMENTTYPE: LC-ESI-Orbitrap
4807 IONIZATION: ESI+ 4805 IONIZATION: ESI+
4808 LICENSE: CC BY-NC 4806 LICENSE: CC BY-NC
4809 COMMENT: 4807 COMMENT:
4810 COMPOUND_NAME: Sulfentrazone 4808 COMPOUND_NAME: Sulfentrazone
4811 RETENTION_TIME: 4.825635 4809 RETENTION_TIME: 4.825635
4812 PRECURSOR_MZ: 386.99 4810 PRECURSOR_MZ: 386.99
4813 COLLISION_ENERGY: 4811 ADDUCT: [M+H]+
4812 COLLISION_ENERGY:
4813 INSTRUMENT_TYPE: LC-ESI-Orbitrap
4814 NUM PEAKS: 48 4814 NUM PEAKS: 48
4815 92.03084 36986.0 4815 92.03084 36986.0
4816 109.9793 24541.0 4816 109.9793 24541.0
4817 111.99506 13105.0 4817 111.99506 13105.0
4818 127.99009 18850.0 4818 127.99009 18850.0
4860 306.99692 72556.0 4860 306.99692 72556.0
4861 308.00412 68794.0 4861 308.00412 68794.0
4862 336.99271 19232.0 4862 336.99271 19232.0
4863 4863
4864 SCANNUMBER: 2407 4864 SCANNUMBER: 2407
4865 PRECURSORTYPE: [M+H]+
4866 IONMODE: Positive 4865 IONMODE: Positive
4867 SPECTRUMTYPE: Centroid 4866 SPECTRUMTYPE: Centroid
4868 FORMULA: C10H19N5S 4867 FORMULA: C10H19N5S
4869 INCHIKEY: IROINLKCQGIITA-UHFFFAOYSA-N 4868 INCHIKEY: IROINLKCQGIITA-UHFFFAOYSA-N
4870 INCHI: 4869 INCHI:
4871 SMILES: CCN=c1nc([nH]c(n1)SC)NC(C)(C)C 4870 SMILES: CCN=c1nc([nH]c(n1)SC)NC(C)(C)C
4872 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 4871 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
4873 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 4872 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
4874 INSTRUMENTTYPE: LC-ESI-Orbitrap
4875 IONIZATION: ESI+ 4873 IONIZATION: ESI+
4876 LICENSE: CC BY-NC 4874 LICENSE: CC BY-NC
4877 COMMENT: 4875 COMMENT:
4878 COMPOUND_NAME: Terbutryn 4876 COMPOUND_NAME: Terbutryn
4879 RETENTION_TIME: 4.990861 4877 RETENTION_TIME: 4.990861
4880 PRECURSOR_MZ: 242.1439 4878 PRECURSOR_MZ: 242.1439
4881 COLLISION_ENERGY: 4879 ADDUCT: [M+H]+
4880 COLLISION_ENERGY:
4881 INSTRUMENT_TYPE: LC-ESI-Orbitrap
4882 NUM PEAKS: 15 4882 NUM PEAKS: 15
4883 85.05116 4457818.0 4883 85.05116 4457818.0
4884 91.03273 8009682.0 4884 91.03273 8009682.0
4885 96.05572 6069758.0 4885 96.05572 6069758.0
4886 102.03746 367626.0 4886 102.03746 367626.0
4895 173.50693 425480.0 4895 173.50693 425480.0
4896 186.08095 16656961.0 4896 186.08095 16656961.0
4897 200.09659 2036050.0 4897 200.09659 2036050.0
4898 4898
4899 SCANNUMBER: 1232 4899 SCANNUMBER: 1232
4900 PRECURSORTYPE: [M+H]+
4901 IONMODE: Positive 4900 IONMODE: Positive
4902 SPECTRUMTYPE: Centroid 4901 SPECTRUMTYPE: Centroid
4903 FORMULA: C10H7N3S 4902 FORMULA: C10H7N3S
4904 INCHIKEY: WJCNZQLZVWNLKY-UHFFFAOYSA-N 4903 INCHIKEY: WJCNZQLZVWNLKY-UHFFFAOYSA-N
4905 INCHI: 4904 INCHI:
4906 SMILES: c1scc(n1)c1nc2c([nH]1)cccc2 4905 SMILES: c1scc(n1)c1nc2c([nH]1)cccc2
4907 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 4906 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
4908 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 4907 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
4909 INSTRUMENTTYPE: LC-ESI-Orbitrap
4910 IONIZATION: ESI+ 4908 IONIZATION: ESI+
4911 LICENSE: CC BY-NC 4909 LICENSE: CC BY-NC
4912 COMMENT: 4910 COMMENT:
4913 COMPOUND_NAME: Thiabendazole 4911 COMPOUND_NAME: Thiabendazole
4914 RETENTION_TIME: 2.44406 4912 RETENTION_TIME: 2.44406
4915 PRECURSOR_MZ: 202.0437 4913 PRECURSOR_MZ: 202.0437
4916 COLLISION_ENERGY: 4914 ADDUCT: [M+H]+
4915 COLLISION_ENERGY:
4916 INSTRUMENT_TYPE: LC-ESI-Orbitrap
4917 NUM PEAKS: 7 4917 NUM PEAKS: 7
4918 92.0498 482307.0 4918 92.0498 482307.0
4919 131.06062 3699935.0 4919 131.06062 3699935.0
4920 143.06068 408061.0 4920 143.06068 408061.0
4921 158.07153 301732.0 4921 158.07153 301732.0
4922 170.07179 139529.0 4922 170.07179 139529.0
4923 175.03255 9873992.0 4923 175.03255 9873992.0
4924 202.04396 3731232.0 4924 202.04396 3731232.0
4925 4925
4926 SCANNUMBER: 1685 4926 SCANNUMBER: 1685
4927 PRECURSORTYPE: [M+H]+
4928 IONMODE: Positive 4927 IONMODE: Positive
4929 SPECTRUMTYPE: Centroid 4928 SPECTRUMTYPE: Centroid
4930 FORMULA: C10H9N4ClS 4929 FORMULA: C10H9N4ClS
4931 INCHIKEY: HOKKPVIRMVDYPB-UHFFFAOYSA-N 4930 INCHIKEY: HOKKPVIRMVDYPB-UHFFFAOYSA-N
4932 INCHI: 4931 INCHI:
4933 SMILES: N#CN=C1SCCN1Cc1ccc(nc1)Cl 4932 SMILES: N#CN=C1SCCN1Cc1ccc(nc1)Cl
4934 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 4933 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
4935 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 4934 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
4936 INSTRUMENTTYPE: LC-ESI-Orbitrap
4937 IONIZATION: ESI+ 4935 IONIZATION: ESI+
4938 LICENSE: CC BY-NC 4936 LICENSE: CC BY-NC
4939 COMMENT: 4937 COMMENT:
4940 COMPOUND_NAME: Thiacloprid 4938 COMPOUND_NAME: Thiacloprid
4941 RETENTION_TIME: 4.159843 4939 RETENTION_TIME: 4.159843
4942 PRECURSOR_MZ: 253.0315 4940 PRECURSOR_MZ: 253.0315
4943 COLLISION_ENERGY: 4941 ADDUCT: [M+H]+
4942 COLLISION_ENERGY:
4943 INSTRUMENT_TYPE: LC-ESI-Orbitrap
4944 NUM PEAKS: 6 4944 NUM PEAKS: 6
4945 90.03403 1177314.0 4945 90.03403 1177314.0
4946 91.04182 256154.0 4946 91.04182 256154.0
4947 98.99973 1052050.0 4947 98.99973 1052050.0
4948 108.0446 146293.0 4948 108.0446 146293.0
4949 126.01085 11655971.0 4949 126.01085 11655971.0
4950 144.02113 633179.0 4950 144.02113 633179.0
4951 4951
4952 SCANNUMBER: 1108 4952 SCANNUMBER: 1108
4953 PRECURSORTYPE: [M+H]+
4954 IONMODE: Positive 4953 IONMODE: Positive
4955 SPECTRUMTYPE: Centroid 4954 SPECTRUMTYPE: Centroid
4956 FORMULA: C8H10N5O3ClS 4955 FORMULA: C8H10N5O3ClS
4957 INCHIKEY: NWWZPOKUUAIXIW-UHFFFAOYSA-N 4956 INCHIKEY: NWWZPOKUUAIXIW-UHFFFAOYSA-N
4958 INCHI: 4957 INCHI:
4959 SMILES: CN1COCN(C1=NN(=O)=O)Cc1cnc(s1)Cl 4958 SMILES: CN1COCN(C1=NN(=O)=O)Cc1cnc(s1)Cl
4960 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 4959 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
4961 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 4960 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
4962 INSTRUMENTTYPE: LC-ESI-Orbitrap
4963 IONIZATION: ESI+ 4961 IONIZATION: ESI+
4964 LICENSE: CC BY-NC 4962 LICENSE: CC BY-NC
4965 COMMENT: 4963 COMMENT:
4966 COMPOUND_NAME: Thiamethoxam 4964 COMPOUND_NAME: Thiamethoxam
4967 RETENTION_TIME: 2.35524 4965 RETENTION_TIME: 2.35524
4968 PRECURSOR_MZ: 292.0273 4966 PRECURSOR_MZ: 292.0273
4969 COLLISION_ENERGY: 4967 ADDUCT: [M+H]+
4968 COLLISION_ENERGY:
4969 INSTRUMENT_TYPE: LC-ESI-Orbitrap
4970 NUM PEAKS: 10 4970 NUM PEAKS: 10
4971 131.96729 856494.0 4971 131.96729 856494.0
4972 174.9729 61417.0 4972 174.9729 61417.0
4973 180.04681 65222.0 4973 180.04681 65222.0
4974 181.0547 129376.0 4974 181.0547 129376.0
4978 246.0343 359117.0 4978 246.0343 359117.0
4979 248.02554 112237.0 4979 248.02554 112237.0
4980 292.02722 584625.0 4980 292.02722 584625.0
4981 4981
4982 SCANNUMBER: 2638 4982 SCANNUMBER: 2638
4983 PRECURSORTYPE: [M+H]+
4984 IONMODE: Positive 4983 IONMODE: Positive
4985 SPECTRUMTYPE: Centroid 4984 SPECTRUMTYPE: Centroid
4986 FORMULA: C9H7N3S 4985 FORMULA: C9H7N3S
4987 INCHIKEY: DQJCHOQLCLEDLL-UHFFFAOYSA-N 4986 INCHIKEY: DQJCHOQLCLEDLL-UHFFFAOYSA-N
4988 INCHI: 4987 INCHI:
4989 SMILES: Cc1cccc2c1n1cnnc1s2 4988 SMILES: Cc1cccc2c1n1cnnc1s2
4990 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 4989 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
4991 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 4990 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
4992 INSTRUMENTTYPE: LC-ESI-Orbitrap
4993 IONIZATION: ESI+ 4991 IONIZATION: ESI+
4994 LICENSE: CC BY-NC 4992 LICENSE: CC BY-NC
4995 COMMENT: 4993 COMMENT:
4996 COMPOUND_NAME: Tricyclazole 4994 COMPOUND_NAME: Tricyclazole
4997 RETENTION_TIME: 5.514598 4995 RETENTION_TIME: 5.514598
4998 PRECURSOR_MZ: 190.0439 4996 PRECURSOR_MZ: 190.0439
4999 COLLISION_ENERGY: 4997 ADDUCT: [M+H]+
4998 COLLISION_ENERGY:
4999 INSTRUMENT_TYPE: LC-ESI-Orbitrap
5000 NUM PEAKS: 10 5000 NUM PEAKS: 10
5001 92.0498 1103195.0 5001 92.0498 1103195.0
5002 109.01101 3220386.0 5002 109.01101 3220386.0
5003 119.06059 619856.0 5003 119.06059 619856.0
5004 127.02138 192273.0 5004 127.02138 192273.0
5008 137.01691 212259.0 5008 137.01691 212259.0
5009 163.03258 14491751.0 5009 163.03258 14491751.0
5010 190.04391 4390148.0 5010 190.04391 4390148.0
5011 5011
5012 SCANNUMBER: 2801 5012 SCANNUMBER: 2801
5013 PRECURSORTYPE: [M+H]+
5014 IONMODE: Positive 5013 IONMODE: Positive
5015 SPECTRUMTYPE: Centroid 5014 SPECTRUMTYPE: Centroid
5016 FORMULA: C17H12N2OCl2 5015 FORMULA: C17H12N2OCl2
5017 INCHIKEY: NHOWDZOIZKMVAI-KRWDZBQOSA-N 5016 INCHIKEY: NHOWDZOIZKMVAI-KRWDZBQOSA-N
5018 INCHI: 5017 INCHI:
5019 SMILES: Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O 5018 SMILES: Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O
5020 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 5019 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
5021 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 5020 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
5022 INSTRUMENTTYPE: LC-ESI-Orbitrap
5023 IONIZATION: ESI+ 5021 IONIZATION: ESI+
5024 LICENSE: CC BY-NC 5022 LICENSE: CC BY-NC
5025 COMMENT: 5023 COMMENT:
5026 COMPOUND_NAME: Fenarimol 5024 COMPOUND_NAME: Fenarimol
5027 RETENTION_TIME: 6.876775 5025 RETENTION_TIME: 6.876775
5028 PRECURSOR_MZ: 331.0412 5026 PRECURSOR_MZ: 331.0412
5029 COLLISION_ENERGY: 5027 ADDUCT: [M+H]+
5028 COLLISION_ENERGY:
5029 INSTRUMENT_TYPE: LC-ESI-Orbitrap
5030 NUM PEAKS: 60 5030 NUM PEAKS: 60
5031 129.01041 62692.0 5031 129.01041 62692.0
5032 138.99483 4713270.0 5032 138.99483 4713270.0
5033 139.00581 348352.0 5033 139.00581 348352.0
5034 140.02657 87193.0 5034 140.02657 87193.0
5088 277.0527 143152.0 5088 277.0527 143152.0
5089 278.06161 515869.0 5089 278.06161 515869.0
5090 279.06857 114232.0 5090 279.06857 114232.0
5091 5091
5092 SCANNUMBER: 3202 5092 SCANNUMBER: 3202
5093 PRECURSORTYPE: [M+H]+
5094 IONMODE: Positive 5093 IONMODE: Positive
5095 SPECTRUMTYPE: Centroid 5094 SPECTRUMTYPE: Centroid
5096 FORMULA: C19H17N4Cl 5095 FORMULA: C19H17N4Cl
5097 INCHIKEY: RQDJADAKIFFEKQ-IBGZPJMESA-N 5096 INCHIKEY: RQDJADAKIFFEKQ-IBGZPJMESA-N
5098 INCHI: 5097 INCHI:
5099 SMILES: N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl 5098 SMILES: N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl
5100 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 5099 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
5101 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 5100 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
5102 INSTRUMENTTYPE: LC-ESI-Orbitrap
5103 IONIZATION: ESI+ 5101 IONIZATION: ESI+
5104 LICENSE: CC BY-NC 5102 LICENSE: CC BY-NC
5105 COMMENT: 5103 COMMENT:
5106 COMPOUND_NAME: Fenbuconazole 5104 COMPOUND_NAME: Fenbuconazole
5107 RETENTION_TIME: 7.045859 5105 RETENTION_TIME: 7.045859
5108 PRECURSOR_MZ: 337.1223 5106 PRECURSOR_MZ: 337.1223
5109 COLLISION_ENERGY: 5107 ADDUCT: [M+H]+
5108 COLLISION_ENERGY:
5109 INSTRUMENT_TYPE: LC-ESI-Orbitrap
5110 NUM PEAKS: 9 5110 NUM PEAKS: 9
5111 89.03882 491858.0 5111 89.03882 491858.0
5112 91.05441 1708709.0 5112 91.05441 1708709.0
5113 103.05439 763259.0 5113 103.05439 763259.0
5114 125.01532 31583906.0 5114 125.01532 31583906.0
5117 139.0309 716816.0 5117 139.0309 716816.0
5118 155.06064 335216.0 5118 155.06064 335216.0
5119 163.0309 736285.0 5119 163.0309 736285.0
5120 5120
5121 SCANNUMBER: 3422 5121 SCANNUMBER: 3422
5122 PRECURSORTYPE: [M+H]+
5123 IONMODE: Positive 5122 IONMODE: Positive
5124 SPECTRUMTYPE: Centroid 5123 SPECTRUMTYPE: Centroid
5125 FORMULA: C16H8N5OCl2F 5124 FORMULA: C16H8N5OCl2F
5126 INCHIKEY: IJJVMEJXYNJXOJ-UHFFFAOYSA-N 5125 INCHIKEY: IJJVMEJXYNJXOJ-UHFFFAOYSA-N
5127 INCHI: 5126 INCHI:
5128 SMILES: Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1 5127 SMILES: Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1
5129 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 5128 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
5130 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 5129 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
5131 INSTRUMENTTYPE: LC-ESI-Orbitrap
5132 IONIZATION: ESI+ 5130 IONIZATION: ESI+
5133 LICENSE: CC BY-NC 5131 LICENSE: CC BY-NC
5134 COMMENT: 5132 COMMENT:
5135 COMPOUND_NAME: Fluquinconazole 5133 COMPOUND_NAME: Fluquinconazole
5136 RETENTION_TIME: 7.093534 5134 RETENTION_TIME: 7.093534
5137 PRECURSOR_MZ: 376.0173 5135 PRECURSOR_MZ: 376.0173
5138 COLLISION_ENERGY: 5136 ADDUCT: [M+H]+
5137 COLLISION_ENERGY:
5138 INSTRUMENT_TYPE: LC-ESI-Orbitrap
5139 NUM PEAKS: 22 5139 NUM PEAKS: 22
5140 108.02471 848273.0 5140 108.02471 848273.0
5141 123.99523 983397.0 5141 123.99523 983397.0
5142 126.03514 85852.0 5142 126.03514 85852.0
5143 158.97679 294325.0 5143 158.97679 294325.0
5159 339.01056 449848.0 5159 339.01056 449848.0
5160 349.00613 731296.0 5160 349.00613 731296.0
5161 349.98984 271485.0 5161 349.98984 271485.0
5162 5162
5163 SCANNUMBER: 1408 5163 SCANNUMBER: 1408
5164 PRECURSORTYPE: [M+H]+
5165 IONMODE: Positive 5164 IONMODE: Positive
5166 SPECTRUMTYPE: Centroid 5165 SPECTRUMTYPE: Centroid
5167 FORMULA: C16H13N3OF2 5166 FORMULA: C16H13N3OF2
5168 INCHIKEY: JWUCHKBSVLQQCO-INIZCTEOSA-N 5167 INCHIKEY: JWUCHKBSVLQQCO-INIZCTEOSA-N
5169 INCHI: 5168 INCHI:
5170 SMILES: Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O 5169 SMILES: Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O
5171 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 5170 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
5172 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 5171 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
5173 INSTRUMENTTYPE: LC-ESI-Orbitrap
5174 IONIZATION: ESI+ 5172 IONIZATION: ESI+
5175 LICENSE: CC BY-NC 5173 LICENSE: CC BY-NC
5176 COMMENT: 5174 COMMENT:
5177 COMPOUND_NAME: Flutriafol 5175 COMPOUND_NAME: Flutriafol
5178 RETENTION_TIME: 5.240544 5176 RETENTION_TIME: 5.240544
5179 PRECURSOR_MZ: 302.1111 5177 PRECURSOR_MZ: 302.1111
5180 COLLISION_ENERGY: 5178 ADDUCT: [M+H]+
5179 COLLISION_ENERGY:
5180 INSTRUMENT_TYPE: LC-ESI-Orbitrap
5181 NUM PEAKS: 11 5181 NUM PEAKS: 11
5182 109.04492 5549990.0 5182 109.04492 5549990.0
5183 113.03991 603136.0 5183 113.03991 603136.0
5184 123.02199 197823.0 5184 123.02199 197823.0
5185 123.02419 14667272.0 5185 123.02419 14667272.0
5190 195.06081 577107.0 5190 195.06081 577107.0
5191 214.05884 311976.0 5191 214.05884 311976.0
5192 215.0668 353163.0 5192 215.0668 353163.0
5193 5193
5194 SCANNUMBER: 1202 5194 SCANNUMBER: 1202
5195 PRECURSORTYPE: [M+H]+
5196 IONMODE: Positive 5195 IONMODE: Positive
5197 SPECTRUMTYPE: Centroid 5196 SPECTRUMTYPE: Centroid
5198 FORMULA: C11H8N2O 5197 FORMULA: C11H8N2O
5199 INCHIKEY: UYJUZNLFJAWNEZ-UHFFFAOYSA-N 5198 INCHIKEY: UYJUZNLFJAWNEZ-UHFFFAOYSA-N
5200 INCHI: 5199 INCHI:
5201 SMILES: c1coc(c1)c1nc2c([nH]1)cccc2 5200 SMILES: c1coc(c1)c1nc2c([nH]1)cccc2
5202 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 5201 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
5203 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 5202 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
5204 INSTRUMENTTYPE: LC-ESI-Orbitrap
5205 IONIZATION: ESI+ 5203 IONIZATION: ESI+
5206 LICENSE: CC BY-NC 5204 LICENSE: CC BY-NC
5207 COMMENT: 5205 COMMENT:
5208 COMPOUND_NAME: Fuberidazole 5206 COMPOUND_NAME: Fuberidazole
5209 RETENTION_TIME: 2.456748 5207 RETENTION_TIME: 2.456748
5210 PRECURSOR_MZ: 185.0715 5208 PRECURSOR_MZ: 185.0715
5211 COLLISION_ENERGY: 5209 ADDUCT: [M+H]+
5210 COLLISION_ENERGY:
5211 INSTRUMENT_TYPE: LC-ESI-Orbitrap
5212 NUM PEAKS: 15 5212 NUM PEAKS: 15
5213 92.0498 2714348.0 5213 92.0498 2714348.0
5214 103.05439 924742.0 5214 103.05439 924742.0
5215 118.05279 1356359.0 5215 118.05279 1356359.0
5216 119.06059 1561269.0 5216 119.06059 1561269.0
5225 156.06877 35950644.0 5225 156.06877 35950644.0
5226 157.07619 39653584.0 5226 157.07619 39653584.0
5227 185.0714 6790632.0 5227 185.0714 6790632.0
5228 5228
5229 SCANNUMBER: 1619 5229 SCANNUMBER: 1619
5230 PRECURSORTYPE: [M+H]+
5231 IONMODE: Positive 5230 IONMODE: Positive
5232 SPECTRUMTYPE: Centroid 5231 SPECTRUMTYPE: Centroid
5233 FORMULA: C15H18N3OCl 5232 FORMULA: C15H18N3OCl
5234 INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N 5233 INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N
5235 INCHI: 5234 INCHI:
5236 SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1 5235 SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1
5237 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 5236 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
5238 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 5237 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
5239 INSTRUMENTTYPE: LC-ESI-Orbitrap
5240 IONIZATION: ESI+ 5238 IONIZATION: ESI+
5241 LICENSE: CC BY-NC 5239 LICENSE: CC BY-NC
5242 COMMENT: 5240 COMMENT:
5243 COMPOUND_NAME: Cyproconazole_1 5241 COMPOUND_NAME: Cyproconazole_1
5244 RETENTION_TIME: 6.138374 5242 RETENTION_TIME: 6.138374
5245 PRECURSOR_MZ: 292.122 5243 PRECURSOR_MZ: 292.122
5246 COLLISION_ENERGY: 5244 ADDUCT: [M+H]+
5245 COLLISION_ENERGY:
5246 INSTRUMENT_TYPE: LC-ESI-Orbitrap
5247 NUM PEAKS: 4 5247 NUM PEAKS: 4
5248 89.03882 111896.0 5248 89.03882 111896.0
5249 125.01532 6537308.0 5249 125.01532 6537308.0
5250 138.99483 329090.0 5250 138.99483 329090.0
5251 139.00581 166501.0 5251 139.00581 166501.0
5252 5252
5253 SCANNUMBER: 1786 5253 SCANNUMBER: 1786
5254 PRECURSORTYPE: [M+H]+
5255 IONMODE: Positive 5254 IONMODE: Positive
5256 SPECTRUMTYPE: Centroid 5255 SPECTRUMTYPE: Centroid
5257 FORMULA: C15H18N3OCl 5256 FORMULA: C15H18N3OCl
5258 INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N 5257 INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N
5259 INCHI: 5258 INCHI:
5260 SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1 5259 SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1
5261 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 5260 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
5262 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 5261 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
5263 INSTRUMENTTYPE: LC-ESI-Orbitrap
5264 IONIZATION: ESI+ 5262 IONIZATION: ESI+
5265 LICENSE: CC BY-NC 5263 LICENSE: CC BY-NC
5266 COMMENT: 5264 COMMENT:
5267 COMPOUND_NAME: Cyproconazole_2 5265 COMPOUND_NAME: Cyproconazole_2
5268 RETENTION_TIME: 6.36811 5266 RETENTION_TIME: 6.36811
5269 PRECURSOR_MZ: 292.1225 5267 PRECURSOR_MZ: 292.1225
5270 COLLISION_ENERGY: 5268 ADDUCT: [M+H]+
5269 COLLISION_ENERGY:
5270 INSTRUMENT_TYPE: LC-ESI-Orbitrap
5271 NUM PEAKS: 4 5271 NUM PEAKS: 4
5272 89.03882 144933.0 5272 89.03882 144933.0
5273 125.01532 8553550.0 5273 125.01532 8553550.0
5274 138.99483 403028.0 5274 138.99483 403028.0
5275 139.00581 198856.0 5275 139.00581 198856.0
5276 5276
5277 SCANNUMBER: 2657 5277 SCANNUMBER: 2657
5278 PRECURSORTYPE: [M+H]+
5279 IONMODE: Positive 5278 IONMODE: Positive
5280 SPECTRUMTYPE: Centroid 5279 SPECTRUMTYPE: Centroid
5281 FORMULA: C15H19N3OCl2 5280 FORMULA: C15H19N3OCl2
5282 INCHIKEY: URDNHJIVMYZFRT-UHFFFAOYSA-N 5281 INCHIKEY: URDNHJIVMYZFRT-UHFFFAOYSA-N
5283 INCHI: 5282 INCHI:
5284 SMILES: Clc1ccc(c(c1)Cl)CC(C(C(C)(C)C)O)n1cncn1 5283 SMILES: Clc1ccc(c(c1)Cl)CC(C(C(C)(C)C)O)n1cncn1
5285 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 5284 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
5286 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 5285 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
5287 INSTRUMENTTYPE: LC-ESI-Orbitrap
5288 IONIZATION: ESI+ 5286 IONIZATION: ESI+
5289 LICENSE: CC BY-NC 5287 LICENSE: CC BY-NC
5290 COMMENT: 5288 COMMENT:
5291 COMPOUND_NAME: Diclobutrazol 5289 COMPOUND_NAME: Diclobutrazol
5292 RETENTION_TIME: 6.830443 5290 RETENTION_TIME: 6.830443
5293 PRECURSOR_MZ: 328.0983 5291 PRECURSOR_MZ: 328.0983
5294 COLLISION_ENERGY: 5292 ADDUCT: [M+H]+
5293 COLLISION_ENERGY:
5294 INSTRUMENT_TYPE: LC-ESI-Orbitrap
5295 NUM PEAKS: 11 5295 NUM PEAKS: 11
5296 122.99965 485826.0 5296 122.99965 485826.0
5297 125.01532 529574.0 5297 125.01532 529574.0
5298 137.01562 496542.0 5298 137.01562 496542.0
5299 158.97626 45675696.0 5299 158.97626 45675696.0
5304 186.97108 498843.0 5304 186.97108 498843.0
5305 190.96622 746907.0 5305 190.96622 746907.0
5306 199.00793 579087.0 5306 199.00793 579087.0
5307 5307
5308 SCANNUMBER: 4342 5308 SCANNUMBER: 4342
5309 PRECURSORTYPE: [M+H]+
5310 IONMODE: Positive 5309 IONMODE: Positive
5311 SPECTRUMTYPE: Centroid 5310 SPECTRUMTYPE: Centroid
5312 FORMULA: C19H17N3O3Cl2 5311 FORMULA: C19H17N3O3Cl2
5313 INCHIKEY: BQYJATMQXGBDHF-UHFFFAOYSA-N 5312 INCHIKEY: BQYJATMQXGBDHF-UHFFFAOYSA-N
5314 INCHI: 5313 INCHI:
5315 SMILES: CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl 5314 SMILES: CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl
5316 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 5315 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
5317 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 5316 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
5318 INSTRUMENTTYPE: LC-ESI-Orbitrap
5319 IONIZATION: ESI+ 5317 IONIZATION: ESI+
5320 LICENSE: CC BY-NC 5318 LICENSE: CC BY-NC
5321 COMMENT: 5319 COMMENT:
5322 COMPOUND_NAME: Difenoconazole 5320 COMPOUND_NAME: Difenoconazole
5323 RETENTION_TIME: 7.351549 5321 RETENTION_TIME: 7.351549
5324 PRECURSOR_MZ: 406.0727 5322 PRECURSOR_MZ: 406.0727
5325 COLLISION_ENERGY: 5323 ADDUCT: [M+H]+
5324 COLLISION_ENERGY:
5325 INSTRUMENT_TYPE: LC-ESI-Orbitrap
5326 NUM PEAKS: 13 5326 NUM PEAKS: 13
5327 129.07021 341601.0 5327 129.07021 341601.0
5328 139.00626 338485.0 5328 139.00626 338485.0
5329 141.01048 334473.0 5329 141.01048 334473.0
5330 152.06247 924840.0 5330 152.06247 924840.0
5337 223.00838 2665156.0 5337 223.00838 2665156.0
5338 251.0031 32513990.0 5338 251.0031 32513990.0
5339 264.98291 3756956.0 5339 264.98291 3756956.0
5340 5340
5341 SCANNUMBER: 3119 5341 SCANNUMBER: 3119
5342 PRECURSORTYPE: [M+H]+
5343 IONMODE: Positive 5342 IONMODE: Positive
5344 SPECTRUMTYPE: Centroid 5343 SPECTRUMTYPE: Centroid
5345 FORMULA: C15H17N3OCl2 5344 FORMULA: C15H17N3OCl2
5346 INCHIKEY: FBOUIAKEJMZPQG-CQSZACIVSA-N 5345 INCHIKEY: FBOUIAKEJMZPQG-CQSZACIVSA-N
5347 INCHI: 5346 INCHI:
5348 SMILES: Clc1ccc(c(c1)Cl)C=C(C(C(C)(C)C)O)n1cncn1 5347 SMILES: Clc1ccc(c(c1)Cl)C=C(C(C(C)(C)C)O)n1cncn1
5349 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 5348 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
5350 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 5349 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
5351 INSTRUMENTTYPE: LC-ESI-Orbitrap
5352 IONIZATION: ESI+ 5350 IONIZATION: ESI+
5353 LICENSE: CC BY-NC 5351 LICENSE: CC BY-NC
5354 COMMENT: 5352 COMMENT:
5355 COMPOUND_NAME: Diniconazole 5353 COMPOUND_NAME: Diniconazole
5356 RETENTION_TIME: 6.999194 5354 RETENTION_TIME: 6.999194
5357 PRECURSOR_MZ: 326.0832 5355 PRECURSOR_MZ: 326.0832
5358 COLLISION_ENERGY: 5356 ADDUCT: [M+H]+
5357 COLLISION_ENERGY:
5358 INSTRUMENT_TYPE: LC-ESI-Orbitrap
5359 NUM PEAKS: 52 5359 NUM PEAKS: 52
5360 87.0807 115189.0 5360 87.0807 115189.0
5361 110.0716 52760.0 5361 110.0716 52760.0
5362 123.00002 65949.0 5362 123.00002 65949.0
5363 136.00755 116731.0 5363 136.00755 116731.0
5409 264.0097 43206.0 5409 264.0097 43206.0
5410 270.01987 48934.0 5410 270.01987 48934.0
5411 278.02554 102202.0 5411 278.02554 102202.0
5412 5412
5413 SCANNUMBER: 3124 5413 SCANNUMBER: 3124
5414 PRECURSORTYPE: [M+H]+
5415 IONMODE: Positive 5414 IONMODE: Positive
5416 SPECTRUMTYPE: Centroid 5415 SPECTRUMTYPE: Centroid
5417 FORMULA: C17H13N3OClF 5416 FORMULA: C17H13N3OClF
5418 INCHIKEY: ZMYFCFLJBGAQRS-IAGOWNOFSA-N 5417 INCHIKEY: ZMYFCFLJBGAQRS-IAGOWNOFSA-N
5419 INCHI: 5418 INCHI:
5420 SMILES: Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl 5419 SMILES: Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl
5421 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 5420 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
5422 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 5421 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
5423 INSTRUMENTTYPE: LC-ESI-Orbitrap
5424 IONIZATION: ESI+ 5422 IONIZATION: ESI+
5425 LICENSE: CC BY-NC 5423 LICENSE: CC BY-NC
5426 COMMENT: 5424 COMMENT:
5427 COMPOUND_NAME: Epoxiconazole 5425 COMPOUND_NAME: Epoxiconazole
5428 RETENTION_TIME: 6.999194 5426 RETENTION_TIME: 6.999194
5429 PRECURSOR_MZ: 330.0806 5427 PRECURSOR_MZ: 330.0806
5430 COLLISION_ENERGY: 5428 ADDUCT: [M+H]+
5429 COLLISION_ENERGY:
5430 INSTRUMENT_TYPE: LC-ESI-Orbitrap
5431 NUM PEAKS: 12 5431 NUM PEAKS: 12
5432 91.05464 783917.0 5432 91.05464 783917.0
5433 101.03878 454726.0 5433 101.03878 454726.0
5434 113.01572 623551.0 5434 113.01572 623551.0
5435 113.04023 604178.0 5435 113.04023 604178.0
5441 129.04501 7068444.0 5441 129.04501 7068444.0
5442 138.99483 468356.0 5442 138.99483 468356.0
5443 141.01048 1219612.0 5443 141.01048 1219612.0
5444 5444
5445 SCANNUMBER: 2581 5445 SCANNUMBER: 2581
5446 PRECURSORTYPE: [M+H]+
5447 IONMODE: Positive 5446 IONMODE: Positive
5448 SPECTRUMTYPE: Centroid 5447 SPECTRUMTYPE: Centroid
5449 FORMULA: C14H15N3O2Cl2 5448 FORMULA: C14H15N3O2Cl2
5450 INCHIKEY: DWRKFAJEBUWTQM-UHFFFAOYSA-N 5449 INCHIKEY: DWRKFAJEBUWTQM-UHFFFAOYSA-N
5451 INCHI: 5450 INCHI:
5452 SMILES: CCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl 5451 SMILES: CCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl
5453 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 5452 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
5454 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 5453 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
5455 INSTRUMENTTYPE: LC-ESI-Orbitrap
5456 IONIZATION: ESI+ 5454 IONIZATION: ESI+
5457 LICENSE: CC BY-NC 5455 LICENSE: CC BY-NC
5458 COMMENT: 5456 COMMENT:
5459 COMPOUND_NAME: Etaconazole 5457 COMPOUND_NAME: Etaconazole
5460 RETENTION_TIME: 6.802904 5458 RETENTION_TIME: 6.802904
5461 PRECURSOR_MZ: 328.0626 5459 PRECURSOR_MZ: 328.0626
5462 COLLISION_ENERGY: 5460 ADDUCT: [M+H]+
5461 COLLISION_ENERGY:
5462 INSTRUMENT_TYPE: LC-ESI-Orbitrap
5463 NUM PEAKS: 10 5463 NUM PEAKS: 10
5464 122.99965 480348.0 5464 122.99965 480348.0
5465 125.01532 599928.0 5465 125.01532 599928.0
5466 137.01562 455760.0 5466 137.01562 455760.0
5467 158.97626 39434140.0 5467 158.97626 39434140.0
5471 174.97166 597883.0 5471 174.97166 597883.0
5472 190.96622 527039.0 5472 190.96622 527039.0
5473 199.00793 567443.0 5473 199.00793 567443.0
5474 5474
5475 SCANNUMBER: 1043 5475 SCANNUMBER: 1043
5476 PRECURSORTYPE: [M+H]+
5477 IONMODE: Positive 5476 IONMODE: Positive
5478 SPECTRUMTYPE: Centroid 5477 SPECTRUMTYPE: Centroid
5479 FORMULA: C11H19N3O 5478 FORMULA: C11H19N3O
5480 INCHIKEY: BBXXLROWFHWFQY-UHFFFAOYSA-N 5479 INCHIKEY: BBXXLROWFHWFQY-UHFFFAOYSA-N
5481 INCHI: 5480 INCHI:
5482 SMILES: CCCCc1c(O)nc(=NCC)[nH]c1C 5481 SMILES: CCCCc1c(O)nc(=NCC)[nH]c1C
5483 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 5482 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
5484 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 5483 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
5485 INSTRUMENTTYPE: LC-ESI-Orbitrap
5486 IONIZATION: ESI+ 5484 IONIZATION: ESI+
5487 LICENSE: CC BY-NC 5485 LICENSE: CC BY-NC
5488 COMMENT: 5486 COMMENT:
5489 COMPOUND_NAME: Ethirimol 5487 COMPOUND_NAME: Ethirimol
5490 RETENTION_TIME: 2.246086 5488 RETENTION_TIME: 2.246086
5491 PRECURSOR_MZ: 210.1608 5489 PRECURSOR_MZ: 210.1608
5492 COLLISION_ENERGY: 5490 ADDUCT: [M+H]+
5491 COLLISION_ENERGY:
5492 INSTRUMENT_TYPE: LC-ESI-Orbitrap
5493 NUM PEAKS: 32 5493 NUM PEAKS: 32
5494 93.07027 325229.0 5494 93.07027 325229.0
5495 95.06072 869968.0 5495 95.06072 869968.0
5496 95.08585 891568.0 5496 95.08585 891568.0
5497 96.0446 781962.0 5497 96.0446 781962.0
5523 182.12912 2661313.0 5523 182.12912 2661313.0
5524 193.13402 1554662.0 5524 193.13402 1554662.0
5525 210.15997 2414378.0 5525 210.15997 2414378.0
5526 5526
5527 SCANNUMBER: 2543 5527 SCANNUMBER: 2543
5528 PRECURSORTYPE: [M+H]+
5529 IONMODE: Positive 5528 IONMODE: Positive
5530 SPECTRUMTYPE: Centroid 5529 SPECTRUMTYPE: Centroid
5531 FORMULA: C14H17N3OCl2 5530 FORMULA: C14H17N3OCl2
5532 INCHIKEY: STMIIPIFODONDC-AWEZNQCLSA-N 5531 INCHIKEY: STMIIPIFODONDC-AWEZNQCLSA-N
5533 INCHI: 5532 INCHI:
5534 SMILES: CCCCC(c1ccc(cc1Cl)Cl)(Cn1cncn1)O 5533 SMILES: CCCCC(c1ccc(cc1Cl)Cl)(Cn1cncn1)O
5535 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 5534 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
5536 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 5535 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
5537 INSTRUMENTTYPE: LC-ESI-Orbitrap
5538 IONIZATION: ESI+ 5536 IONIZATION: ESI+
5539 LICENSE: CC BY-NC 5537 LICENSE: CC BY-NC
5540 COMMENT: 5538 COMMENT:
5541 COMPOUND_NAME: Hexaconazole 5539 COMPOUND_NAME: Hexaconazole
5542 RETENTION_TIME: 6.793731 5540 RETENTION_TIME: 6.793731
5543 PRECURSOR_MZ: 314.0833 5541 PRECURSOR_MZ: 314.0833
5544 COLLISION_ENERGY: 5542 ADDUCT: [M+H]+
5543 COLLISION_ENERGY:
5544 INSTRUMENT_TYPE: LC-ESI-Orbitrap
5545 NUM PEAKS: 16 5545 NUM PEAKS: 16
5546 115.05463 149487.0 5546 115.05463 149487.0
5547 123.00002 104704.0 5547 123.00002 104704.0
5548 125.0157 1580755.0 5548 125.0157 1580755.0
5549 129.01041 156034.0 5549 129.01041 156034.0
5559 174.97166 740773.0 5559 174.97166 740773.0
5560 184.99236 690533.0 5560 184.99236 690533.0
5561 188.98734 151249.0 5561 188.98734 151249.0
5562 5562
5563 SCANNUMBER: 3476 5563 SCANNUMBER: 3476
5564 PRECURSORTYPE: [M+H]+
5565 IONMODE: Positive 5564 IONMODE: Positive
5566 SPECTRUMTYPE: Centroid 5565 SPECTRUMTYPE: Centroid
5567 FORMULA: C18H24N3OCl 5566 FORMULA: C18H24N3OCl
5568 INCHIKEY: QTYCMDBMOLSEAM-UHFFFAOYSA-N 5567 INCHIKEY: QTYCMDBMOLSEAM-UHFFFAOYSA-N
5569 INCHI: 5568 INCHI:
5570 SMILES: CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C 5569 SMILES: CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C
5571 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 5570 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
5572 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 5571 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
5573 INSTRUMENTTYPE: LC-ESI-Orbitrap
5574 IONIZATION: ESI+ 5572 IONIZATION: ESI+
5575 LICENSE: CC BY-NC 5573 LICENSE: CC BY-NC
5576 COMMENT: 5574 COMMENT:
5577 COMPOUND_NAME: Ipconazole 5575 COMPOUND_NAME: Ipconazole
5578 RETENTION_TIME: 7.112235 5576 RETENTION_TIME: 7.112235
5579 PRECURSOR_MZ: 334.1694 5577 PRECURSOR_MZ: 334.1694
5580 COLLISION_ENERGY: 5578 ADDUCT: [M+H]+
5579 COLLISION_ENERGY:
5580 INSTRUMENT_TYPE: LC-ESI-Orbitrap
5581 NUM PEAKS: 18 5581 NUM PEAKS: 18
5582 89.03882 79221.0 5582 89.03882 79221.0
5583 95.08585 152078.0 5583 95.08585 152078.0
5584 109.10148 351087.0 5584 109.10148 351087.0
5585 115.05463 110112.0 5585 115.05463 110112.0
5597 165.04663 173374.0 5597 165.04663 173374.0
5598 177.04655 269267.0 5598 177.04655 269267.0
5599 191.06258 291856.0 5599 191.06258 291856.0
5600 5600
5601 SCANNUMBER: 3161 5601 SCANNUMBER: 3161
5602 PRECURSORTYPE: [M+H]+
5603 IONMODE: Positive 5602 IONMODE: Positive
5604 SPECTRUMTYPE: Centroid 5603 SPECTRUMTYPE: Centroid
5605 FORMULA: C17H22N3OCl 5604 FORMULA: C17H22N3OCl
5606 INCHIKEY: XWPZUHJBOLQNMN-UHFFFAOYSA-N 5605 INCHIKEY: XWPZUHJBOLQNMN-UHFFFAOYSA-N
5607 INCHI: 5606 INCHI:
5608 SMILES: OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl 5607 SMILES: OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl
5609 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 5608 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
5610 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 5609 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
5611 INSTRUMENTTYPE: LC-ESI-Orbitrap
5612 IONIZATION: ESI+ 5610 IONIZATION: ESI+
5613 LICENSE: CC BY-NC 5611 LICENSE: CC BY-NC
5614 COMMENT: 5612 COMMENT:
5615 COMPOUND_NAME: Metconazole 5613 COMPOUND_NAME: Metconazole
5616 RETENTION_TIME: 7.017605 5614 RETENTION_TIME: 7.017605
5617 PRECURSOR_MZ: 320.1538 5615 PRECURSOR_MZ: 320.1538
5618 COLLISION_ENERGY: 5616 ADDUCT: [M+H]+
5617 COLLISION_ENERGY:
5618 INSTRUMENT_TYPE: LC-ESI-Orbitrap
5619 NUM PEAKS: 13 5619 NUM PEAKS: 13
5620 95.08585 468079.0 5620 95.08585 468079.0
5621 107.08563 155599.0 5621 107.08563 155599.0
5622 125.01532 7873925.0 5622 125.01532 7873925.0
5623 128.06239 109318.0 5623 128.06239 109318.0
5630 165.04663 82686.0 5630 165.04663 82686.0
5631 177.04655 645875.0 5631 177.04655 645875.0
5632 191.06258 194319.0 5632 191.06258 194319.0
5633 5633
5634 SCANNUMBER: 1883 5634 SCANNUMBER: 1883
5635 PRECURSORTYPE: [M+H]+
5636 IONMODE: Positive 5635 IONMODE: Positive
5637 SPECTRUMTYPE: Centroid 5636 SPECTRUMTYPE: Centroid
5638 FORMULA: C17H12N2OClF 5637 FORMULA: C17H12N2OClF
5639 INCHIKEY: SAPGTCDSBGMXCD-KRWDZBQOSA-N 5638 INCHIKEY: SAPGTCDSBGMXCD-KRWDZBQOSA-N
5640 INCHI: 5639 INCHI:
5641 SMILES: Fc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O 5640 SMILES: Fc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O
5642 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 5641 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
5643 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 5642 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
5644 INSTRUMENTTYPE: LC-ESI-Orbitrap
5645 IONIZATION: ESI+ 5643 IONIZATION: ESI+
5646 LICENSE: CC BY-NC 5644 LICENSE: CC BY-NC
5647 COMMENT: 5645 COMMENT:
5648 COMPOUND_NAME: Nuarimol 5646 COMPOUND_NAME: Nuarimol
5649 RETENTION_TIME: 6.452959 5647 RETENTION_TIME: 6.452959
5650 PRECURSOR_MZ: 315.0705 5648 PRECURSOR_MZ: 315.0705
5651 COLLISION_ENERGY: 5649 ADDUCT: [M+H]+
5650 COLLISION_ENERGY:
5651 INSTRUMENT_TYPE: LC-ESI-Orbitrap
5652 NUM PEAKS: 59 5652 NUM PEAKS: 59
5653 113.03991 15277.0 5653 113.03991 15277.0
5654 123.02419 689099.0 5654 123.02419 689099.0
5655 123.03554 68936.0 5655 123.03554 68936.0
5656 128.04956 14564.0 5656 128.04956 14564.0
5709 263.09796 32958.0 5709 263.09796 32958.0
5710 269.04013 16405.0 5710 269.04013 16405.0
5711 270.04846 16960.0 5711 270.04846 16960.0
5712 5712
5713 SCANNUMBER: 1764 5713 SCANNUMBER: 1764
5714 PRECURSORTYPE: [M+H]+
5715 IONMODE: Positive 5714 IONMODE: Positive
5716 SPECTRUMTYPE: Centroid 5715 SPECTRUMTYPE: Centroid
5717 FORMULA: C15H20N3OCl 5716 FORMULA: C15H20N3OCl
5718 INCHIKEY: RMOGWMIKYWRTKW-UONOGXRCSA-N 5717 INCHIKEY: RMOGWMIKYWRTKW-UONOGXRCSA-N
5719 INCHI: 5718 INCHI:
5720 SMILES: OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl 5719 SMILES: OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl
5721 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 5720 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
5722 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 5721 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
5723 INSTRUMENTTYPE: LC-ESI-Orbitrap
5724 IONIZATION: ESI+ 5722 IONIZATION: ESI+
5725 LICENSE: CC BY-NC 5723 LICENSE: CC BY-NC
5726 COMMENT: 5724 COMMENT:
5727 COMPOUND_NAME: Paclobutrazol 5725 COMPOUND_NAME: Paclobutrazol
5728 RETENTION_TIME: 6.358851 5726 RETENTION_TIME: 6.358851
5729 PRECURSOR_MZ: 294.1362 5727 PRECURSOR_MZ: 294.1362
5730 COLLISION_ENERGY: 5728 ADDUCT: [M+H]+
5729 COLLISION_ENERGY:
5730 INSTRUMENT_TYPE: LC-ESI-Orbitrap
5731 NUM PEAKS: 22 5731 NUM PEAKS: 22
5732 87.0807 394679.0 5732 87.0807 394679.0
5733 89.03882 144548.0 5733 89.03882 144548.0
5734 91.05441 100589.0 5734 91.05441 100589.0
5735 95.04928 72012.0 5735 95.04928 72012.0
5751 151.03107 202825.0 5751 151.03107 202825.0
5752 165.04663 986782.0 5752 165.04663 986782.0
5753 173.50876 86407.0 5753 173.50876 86407.0
5754 5754
5755 SCANNUMBER: 2459 5755 SCANNUMBER: 2459
5756 PRECURSORTYPE: [M+H]+
5757 IONMODE: Positive 5756 IONMODE: Positive
5758 SPECTRUMTYPE: Centroid 5757 SPECTRUMTYPE: Centroid
5759 FORMULA: C13H15N3Cl2 5758 FORMULA: C13H15N3Cl2
5760 INCHIKEY: WKBPZYKAUNRMKP-JTQLQIEISA-N 5759 INCHIKEY: WKBPZYKAUNRMKP-JTQLQIEISA-N
5761 INCHI: 5760 INCHI:
5762 SMILES: CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1 5761 SMILES: CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1
5763 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 5762 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
5764 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 5763 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
5765 INSTRUMENTTYPE: LC-ESI-Orbitrap
5766 IONIZATION: ESI+ 5764 IONIZATION: ESI+
5767 LICENSE: CC BY-NC 5765 LICENSE: CC BY-NC
5768 COMMENT: 5766 COMMENT:
5769 COMPOUND_NAME: Penconazole 5767 COMPOUND_NAME: Penconazole
5770 RETENTION_TIME: 6.747501 5768 RETENTION_TIME: 6.747501
5771 PRECURSOR_MZ: 284.0724 5769 PRECURSOR_MZ: 284.0724
5772 COLLISION_ENERGY: 5770 ADDUCT: [M+H]+
5771 COLLISION_ENERGY:
5772 INSTRUMENT_TYPE: LC-ESI-Orbitrap
5773 NUM PEAKS: 5 5773 NUM PEAKS: 5
5774 102.04659 746383.0 5774 102.04659 746383.0
5775 122.99965 1405085.0 5775 122.99965 1405085.0
5776 137.01562 2859486.0 5776 137.01562 2859486.0
5777 158.97626 62049868.0 5777 158.97626 62049868.0
5778 172.99223 3885430.0 5778 172.99223 3885430.0
5779 5779
5780 SCANNUMBER: 3131 5780 SCANNUMBER: 3131
5781 PRECURSORTYPE: [M+H]+
5782 IONMODE: Positive 5781 IONMODE: Positive
5783 SPECTRUMTYPE: Centroid 5782 SPECTRUMTYPE: Centroid
5784 FORMULA: C15H17N3O2Cl2 5783 FORMULA: C15H17N3O2Cl2
5785 INCHIKEY: STJLVHWMYQXCPB-UHFFFAOYSA-N 5784 INCHIKEY: STJLVHWMYQXCPB-UHFFFAOYSA-N
5786 INCHI: 5785 INCHI:
5787 SMILES: CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl 5786 SMILES: CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl
5788 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 5787 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
5789 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 5788 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
5790 INSTRUMENTTYPE: LC-ESI-Orbitrap
5791 IONIZATION: ESI+ 5789 IONIZATION: ESI+
5792 LICENSE: CC BY-NC 5790 LICENSE: CC BY-NC
5793 COMMENT: 5791 COMMENT:
5794 COMPOUND_NAME: Propiconazole 5792 COMPOUND_NAME: Propiconazole
5795 RETENTION_TIME: 6.999194 5793 RETENTION_TIME: 6.999194
5796 PRECURSOR_MZ: 342.0777 5794 PRECURSOR_MZ: 342.0777
5797 COLLISION_ENERGY: 5795 ADDUCT: [M+H]+
5796 COLLISION_ENERGY:
5797 INSTRUMENT_TYPE: LC-ESI-Orbitrap
5798 NUM PEAKS: 5 5798 NUM PEAKS: 5
5799 122.99965 303053.0 5799 122.99965 303053.0
5800 158.97626 24240670.0 5800 158.97626 24240670.0
5801 172.9556 1323126.0 5801 172.9556 1323126.0
5802 186.97108 391981.0 5802 186.97108 391981.0
5803 190.96622 431621.0 5803 190.96622 431621.0
5804 5804
5805 SCANNUMBER: 2993 5805 SCANNUMBER: 2993
5806 PRECURSORTYPE: [M+H]+
5807 IONMODE: Positive 5806 IONMODE: Positive
5808 SPECTRUMTYPE: Centroid 5807 SPECTRUMTYPE: Centroid
5809 FORMULA: C16H22N3OCl 5808 FORMULA: C16H22N3OCl
5810 INCHIKEY: PXMNMQRDXWABCY-INIZCTEOSA-N 5809 INCHIKEY: PXMNMQRDXWABCY-INIZCTEOSA-N
5811 INCHI: 5810 INCHI:
5812 SMILES: Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O 5811 SMILES: Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O
5813 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 5812 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
5814 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 5813 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
5815 INSTRUMENTTYPE: LC-ESI-Orbitrap
5816 IONIZATION: ESI+ 5814 IONIZATION: ESI+
5817 LICENSE: CC BY-NC 5815 LICENSE: CC BY-NC
5818 COMMENT: 5816 COMMENT:
5819 COMPOUND_NAME: Tebuconazole 5817 COMPOUND_NAME: Tebuconazole
5820 RETENTION_TIME: 6.933391 5818 RETENTION_TIME: 6.933391
5821 PRECURSOR_MZ: 308.1532 5819 PRECURSOR_MZ: 308.1532
5822 COLLISION_ENERGY: 5820 ADDUCT: [M+H]+
5821 COLLISION_ENERGY:
5822 INSTRUMENT_TYPE: LC-ESI-Orbitrap
5823 NUM PEAKS: 15 5823 NUM PEAKS: 15
5824 89.03882 78455.0 5824 89.03882 78455.0
5825 103.05439 150981.0 5825 103.05439 150981.0
5826 115.0543 806550.0 5826 115.0543 806550.0
5827 116.06211 1104744.0 5827 116.06211 1104744.0
5836 151.03107 2225088.0 5836 151.03107 2225088.0
5837 165.04663 474739.0 5837 165.04663 474739.0
5838 179.0621 93619.0 5838 179.0621 93619.0
5839 5839
5840 SCANNUMBER: 1845 5840 SCANNUMBER: 1845
5841 PRECURSORTYPE: [M+H]+
5842 IONMODE: Positive 5841 IONMODE: Positive
5843 SPECTRUMTYPE: Centroid 5842 SPECTRUMTYPE: Centroid
5844 FORMULA: C13H11N3OCl2F4 5843 FORMULA: C13H11N3OCl2F4
5845 INCHIKEY: LQDARGUHUSPFNL-QMMMGPOBSA-N 5844 INCHIKEY: LQDARGUHUSPFNL-QMMMGPOBSA-N
5846 INCHI: 5845 INCHI:
5847 SMILES: Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F 5846 SMILES: Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F
5848 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 5847 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
5849 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 5848 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
5850 INSTRUMENTTYPE: LC-ESI-Orbitrap
5851 IONIZATION: ESI+ 5849 IONIZATION: ESI+
5852 LICENSE: CC BY-NC 5850 LICENSE: CC BY-NC
5853 COMMENT: 5851 COMMENT:
5854 COMPOUND_NAME: Tetraconazole 5852 COMPOUND_NAME: Tetraconazole
5855 RETENTION_TIME: 6.434036 5853 RETENTION_TIME: 6.434036
5856 PRECURSOR_MZ: 372.0302 5854 PRECURSOR_MZ: 372.0302
5857 COLLISION_ENERGY: 5855 ADDUCT: [M+H]+
5856 COLLISION_ENERGY:
5857 INSTRUMENT_TYPE: LC-ESI-Orbitrap
5858 NUM PEAKS: 6 5858 NUM PEAKS: 6
5859 115.05463 210733.0 5859 115.05463 210733.0
5860 149.01559 493803.0 5860 149.01559 493803.0
5861 150.02344 1143618.0 5861 150.02344 1143618.0
5862 158.97679 15780315.0 5862 158.97679 15780315.0
5863 176.96693 301907.0 5863 176.96693 301907.0
5864 184.99236 249943.0 5864 184.99236 249943.0
5865 5865
5866 SCANNUMBER: 2640 5866 SCANNUMBER: 2640
5867 PRECURSORTYPE: [M+H]+
5868 IONMODE: Positive 5867 IONMODE: Positive
5869 SPECTRUMTYPE: Centroid 5868 SPECTRUMTYPE: Centroid
5870 FORMULA: C15H15N3OClF3 5869 FORMULA: C15H15N3OClF3
5871 INCHIKEY: HSMVPDGQOIQYSR-UHFFFAOYSA-N 5870 INCHIKEY: HSMVPDGQOIQYSR-UHFFFAOYSA-N
5872 INCHI: 5871 INCHI:
5873 SMILES: CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1 5872 SMILES: CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1
5874 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 5873 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
5875 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 5874 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
5876 INSTRUMENTTYPE: LC-ESI-Orbitrap
5877 IONIZATION: ESI+ 5875 IONIZATION: ESI+
5878 LICENSE: CC BY-NC 5876 LICENSE: CC BY-NC
5879 COMMENT: 5877 COMMENT:
5880 COMPOUND_NAME: Triflumizole 5878 COMPOUND_NAME: Triflumizole
5881 RETENTION_TIME: 6.821252 5879 RETENTION_TIME: 6.821252
5882 PRECURSOR_MZ: 346.094 5880 PRECURSOR_MZ: 346.094
5883 COLLISION_ENERGY: 5881 ADDUCT: [M+H]+
5882 COLLISION_ENERGY:
5883 INSTRUMENT_TYPE: LC-ESI-Orbitrap
5884 NUM PEAKS: 2 5884 NUM PEAKS: 2
5885 278.05542 29552484.0 5885 278.05542 29552484.0
5886 346.09351 955540.0 5886 346.09351 955540.0
5887 5887
5888 SCANNUMBER: 2549 5888 SCANNUMBER: 2549
5889 PRECURSORTYPE: [M+H]+
5890 IONMODE: Positive 5889 IONMODE: Positive
5891 SPECTRUMTYPE: Centroid 5890 SPECTRUMTYPE: Centroid
5892 FORMULA: C17H20N3OCl 5891 FORMULA: C17H20N3OCl
5893 INCHIKEY: PPDBOQMNKNNODG-QGZVFWFLSA-N 5892 INCHIKEY: PPDBOQMNKNNODG-QGZVFWFLSA-N
5894 INCHI: 5893 INCHI:
5895 SMILES: OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C 5894 SMILES: OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C
5896 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 5895 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
5897 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 5896 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
5898 INSTRUMENTTYPE: LC-ESI-Orbitrap
5899 IONIZATION: ESI+ 5897 IONIZATION: ESI+
5900 LICENSE: CC BY-NC 5898 LICENSE: CC BY-NC
5901 COMMENT: 5899 COMMENT:
5902 COMPOUND_NAME: Triticonazole 5900 COMPOUND_NAME: Triticonazole
5903 RETENTION_TIME: 6.793731 5901 RETENTION_TIME: 6.793731
5904 PRECURSOR_MZ: 318.1369 5902 PRECURSOR_MZ: 318.1369
5905 COLLISION_ENERGY: 5903 ADDUCT: [M+H]+
5904 COLLISION_ENERGY:
5905 INSTRUMENT_TYPE: LC-ESI-Orbitrap
5906 NUM PEAKS: 59 5906 NUM PEAKS: 59
5907 89.03882 57349.0 5907 89.03882 57349.0
5908 91.05464 43853.0 5908 91.05464 43853.0
5909 95.04953 68354.0 5909 95.04953 68354.0
5910 95.08585 78735.0 5910 95.08585 78735.0
5963 190.04179 48399.0 5963 190.04179 48399.0
5964 191.06258 581232.0 5964 191.06258 581232.0
5965 196.12456 74697.0 5965 196.12456 74697.0
5966 5966
5967 SCANNUMBER: 3229 5967 SCANNUMBER: 3229
5968 PRECURSORTYPE: [M+H]+
5969 IONMODE: Positive 5968 IONMODE: Positive
5970 SPECTRUMTYPE: Centroid 5969 SPECTRUMTYPE: Centroid
5971 FORMULA: C43H69NO10 5970 FORMULA: C43H69NO10
5972 INCHIKEY: KWVYSEWJJXXTEZ-GDMNSMANSA-N 5971 INCHIKEY: KWVYSEWJJXXTEZ-GDMNSMANSA-N
5973 INCHI: 5972 INCHI:
5974 SMILES: CCOC1C(OC)C(OC2CC3C(C2)C(=CC2C3C=C3C2CC(=O)OC(CC)CCCC(C(C3=O)C)OC2CCC(C(O2)C)N(C)C)C)OC(C1OC)C 5973 SMILES: CCOC1C(OC)C(OC2CC3C(C2)C(=CC2C3C=C3C2CC(=O)OC(CC)CCCC(C(C3=O)C)OC2CCC(C(O2)C)N(C)C)C)OC(C1OC)C
5975 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 5974 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
5976 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 5975 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
5977 INSTRUMENTTYPE: LC-ESI-Orbitrap
5978 IONIZATION: ESI+ 5976 IONIZATION: ESI+
5979 LICENSE: CC BY-NC 5977 LICENSE: CC BY-NC
5980 COMMENT: 5978 COMMENT:
5981 COMPOUND_NAME: Spinetoram L 5979 COMPOUND_NAME: Spinetoram L
5982 RETENTION_TIME: 6.970665 5980 RETENTION_TIME: 6.970665
5983 PRECURSOR_MZ: 760.5021 5981 PRECURSOR_MZ: 760.5021
5984 COLLISION_ENERGY: 5982 ADDUCT: [M+H]+
5983 COLLISION_ENERGY:
5984 INSTRUMENT_TYPE: LC-ESI-Orbitrap
5985 NUM PEAKS: 21 5985 NUM PEAKS: 21
5986 85.06505 76410.0 5986 85.06505 76410.0
5987 87.04429 159491.0 5987 87.04429 159491.0
5988 95.04928 101292.0 5988 95.04928 101292.0
5989 97.06514 990457.0 5989 97.06514 990457.0
6004 183.11732 117521.0 6004 183.11732 117521.0
6005 211.11166 121662.0 6005 211.11166 121662.0
6006 213.09132 89441.0 6006 213.09132 89441.0
6007 6007
6008 SCANNUMBER: 3373 6008 SCANNUMBER: 3373
6009 PRECURSORTYPE: [M+H]+
6010 IONMODE: Positive 6009 IONMODE: Positive
6011 SPECTRUMTYPE: Centroid 6010 SPECTRUMTYPE: Centroid
6012 FORMULA: C49H75NO13 6011 FORMULA: C49H75NO13
6013 INCHIKEY: GCKZANITAMOIAR-XWVCPFKXSA-N 6012 INCHIKEY: GCKZANITAMOIAR-XWVCPFKXSA-N
6014 INCHI: 6013 INCHI:
6015 SMILES: CCC(C1OC2(C=CC1C)OC1CC=C(C)C(OC3CC(OC)C(C(O3)C)OC3CC(OC)C(C(O3)C)NC)C(C)C=CC=C3C4(C(C(=O)OC(C2)C1)C=C(C)C(C4OC3)O)O)C 6014 SMILES: CCC(C1OC2(C=CC1C)OC1CC=C(C)C(OC3CC(OC)C(C(O3)C)OC3CC(OC)C(C(O3)C)NC)C(C)C=CC=C3C4(C(C(=O)OC(C2)C1)C=C(C)C(C4OC3)O)O)C
6016 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 6015 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
6017 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 6016 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
6018 INSTRUMENTTYPE: LC-ESI-Orbitrap
6019 IONIZATION: ESI+ 6017 IONIZATION: ESI+
6020 LICENSE: CC BY-NC 6018 LICENSE: CC BY-NC
6021 COMMENT: 6019 COMMENT:
6022 COMPOUND_NAME: Emamectin benzoate 6020 COMPOUND_NAME: Emamectin benzoate
6023 RETENTION_TIME: 6.999389 6021 RETENTION_TIME: 6.999389
6024 PRECURSOR_MZ: 886.5328 6022 PRECURSOR_MZ: 886.5328
6025 COLLISION_ENERGY: 6023 ADDUCT: [M+H]+
6024 COLLISION_ENERGY:
6025 INSTRUMENT_TYPE: LC-ESI-Orbitrap
6026 NUM PEAKS: 11 6026 NUM PEAKS: 11
6027 95.04928 292923.0 6027 95.04928 292923.0
6028 98.06031 268499.0 6028 98.06031 268499.0
6029 108.08107 688810.0 6029 108.08107 688810.0
6030 109.10148 229513.0 6030 109.10148 229513.0
6035 140.10709 213152.0 6035 140.10709 213152.0
6036 158.11794 18414448.0 6036 158.11794 18414448.0
6037 173.50876 230972.0 6037 173.50876 230972.0
6038 6038
6039 SCANNUMBER: 1283 6039 SCANNUMBER: 1283
6040 PRECURSORTYPE: [M+H]+
6041 IONMODE: Positive 6040 IONMODE: Positive
6042 SPECTRUMTYPE: Centroid 6041 SPECTRUMTYPE: Centroid
6043 FORMULA: C20H33NO 6042 FORMULA: C20H33NO
6044 INCHIKEY: RYAUSSKQMZRMAI-ALOPSCKCSA-N 6043 INCHIKEY: RYAUSSKQMZRMAI-ALOPSCKCSA-N
6045 INCHI: 6044 INCHI:
6046 SMILES: CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C 6045 SMILES: CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C
6047 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 6046 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
6048 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 6047 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
6049 INSTRUMENTTYPE: LC-ESI-Orbitrap
6050 IONIZATION: ESI+ 6048 IONIZATION: ESI+
6051 LICENSE: CC BY-NC 6049 LICENSE: CC BY-NC
6052 COMMENT: 6050 COMMENT:
6053 COMPOUND_NAME: Fenpropimorph 6051 COMPOUND_NAME: Fenpropimorph
6054 RETENTION_TIME: 4.613603 6052 RETENTION_TIME: 4.613603
6055 PRECURSOR_MZ: 304.2642 6053 PRECURSOR_MZ: 304.2642
6056 COLLISION_ENERGY: 6054 ADDUCT: [M+H]+
6055 COLLISION_ENERGY:
6056 INSTRUMENT_TYPE: LC-ESI-Orbitrap
6057 NUM PEAKS: 14 6057 NUM PEAKS: 14
6058 91.05441 1025363.0 6058 91.05441 1025363.0
6059 98.09655 5764430.0 6059 98.09655 5764430.0
6060 102.09142 427096.0 6060 102.09142 427096.0
6061 105.0699 3838997.0 6061 105.0699 3838997.0
6069 147.11678 29169826.0 6069 147.11678 29169826.0
6070 161.13254 881881.0 6070 161.13254 881881.0
6071 304.26379 2555976.0 6071 304.26379 2555976.0
6072 6072
6073 SCANNUMBER: 4501 6073 SCANNUMBER: 4501
6074 PRECURSORTYPE: [M+H]+
6075 IONMODE: Positive 6074 IONMODE: Positive
6076 SPECTRUMTYPE: Centroid 6075 SPECTRUMTYPE: Centroid
6077 FORMULA: C21H24O4Cl2 6076 FORMULA: C21H24O4Cl2
6078 INCHIKEY: DTDSAWVUFPGDMX-UHFFFAOYSA-N 6077 INCHIKEY: DTDSAWVUFPGDMX-UHFFFAOYSA-N
6079 INCHI: 6078 INCHI:
6080 SMILES: CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C 6079 SMILES: CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C
6081 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 6080 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
6082 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 6081 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
6083 INSTRUMENTTYPE: LC-ESI-Orbitrap
6084 IONIZATION: ESI+ 6082 IONIZATION: ESI+
6085 LICENSE: CC BY-NC 6083 LICENSE: CC BY-NC
6086 COMMENT: 6084 COMMENT:
6087 COMPOUND_NAME: Spirodiclofen 6085 COMPOUND_NAME: Spirodiclofen
6088 RETENTION_TIME: 7.279784 6086 RETENTION_TIME: 7.279784
6089 PRECURSOR_MZ: 411.1127 6087 PRECURSOR_MZ: 411.1127
6090 COLLISION_ENERGY: 6088 ADDUCT: [M+H]+
6089 COLLISION_ENERGY:
6090 INSTRUMENT_TYPE: LC-ESI-Orbitrap
6091 NUM PEAKS: 3 6091 NUM PEAKS: 3
6092 313.03357 548684.0 6092 313.03357 548684.0
6093 313.03952 12618725.0 6093 313.03952 12618725.0
6094 411.11246 2380661.0 6094 411.11246 2380661.0
6095 6095
6096 SCANNUMBER: 2899 6096 SCANNUMBER: 2899
6097 PRECURSORTYPE: [M+H]+
6098 IONMODE: Positive 6097 IONMODE: Positive
6099 SPECTRUMTYPE: Centroid 6098 SPECTRUMTYPE: Centroid
6100 FORMULA: C41H65NO10 6099 FORMULA: C41H65NO10
6101 INCHIKEY: SRJQTHAZUNRMPR-SFGMUSMWSA-N 6100 INCHIKEY: SRJQTHAZUNRMPR-SFGMUSMWSA-N
6102 INCHI: 6101 INCHI:
6103 SMILES: CCC1CCCC(OC2CCC(C(O2)C)N(C)C)C(C)C(=O)C2=CC3C(C2CC(=O)O1)C=CC1C3CC(C1)OC1OC(C)C(C(C1OC)OC)OC 6102 SMILES: CCC1CCCC(OC2CCC(C(O2)C)N(C)C)C(C)C(=O)C2=CC3C(C2CC(=O)O1)C=CC1C3CC(C1)OC1OC(C)C(C(C1OC)OC)OC
6104 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 6103 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
6105 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 6104 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
6106 INSTRUMENTTYPE: LC-ESI-Orbitrap
6107 IONIZATION: ESI+ 6105 IONIZATION: ESI+
6108 LICENSE: CC BY-NC 6106 LICENSE: CC BY-NC
6109 COMMENT: 6107 COMMENT:
6110 COMPOUND_NAME: Spinosad 6108 COMPOUND_NAME: Spinosad
6111 RETENTION_TIME: 6.884336 6109 RETENTION_TIME: 6.884336
6112 PRECURSOR_MZ: 732.4695 6110 PRECURSOR_MZ: 732.4695
6113 COLLISION_ENERGY: 6111 ADDUCT: [M+H]+
6112 COLLISION_ENERGY:
6113 INSTRUMENT_TYPE: LC-ESI-Orbitrap
6114 NUM PEAKS: 24 6114 NUM PEAKS: 24
6115 85.06505 290872.0 6115 85.06505 290872.0
6116 95.08585 281431.0 6116 95.08585 281431.0
6117 97.06514 4107321.0 6117 97.06514 4107321.0
6118 98.09655 11811636.0 6118 98.09655 11811636.0
6136 199.07574 416158.0 6136 199.07574 416158.0
6137 201.0916 354498.0 6137 201.0916 354498.0
6138 225.09103 339682.0 6138 225.09103 339682.0
6139 6139
6140 SCANNUMBER: 1978 6140 SCANNUMBER: 1978
6141 PRECURSORTYPE: [M+H]+
6142 IONMODE: Positive 6141 IONMODE: Positive
6143 SPECTRUMTYPE: Centroid 6142 SPECTRUMTYPE: Centroid
6144 FORMULA: C21H27NO5 6143 FORMULA: C21H27NO5
6145 INCHIKEY: CLSVJBIHYWPGQY-UHFFFAOYSA-N 6144 INCHIKEY: CLSVJBIHYWPGQY-UHFFFAOYSA-N
6146 INCHI: 6145 INCHI:
6147 SMILES: CCOC(=O)OC1=C(C(=NC21CCC(CC2)OC)O)c1cc(C)ccc1C 6146 SMILES: CCOC(=O)OC1=C(C(=NC21CCC(CC2)OC)O)c1cc(C)ccc1C
6148 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 6147 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
6149 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 6148 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
6150 INSTRUMENTTYPE: LC-ESI-Orbitrap
6151 IONIZATION: ESI+ 6149 IONIZATION: ESI+
6152 LICENSE: CC BY-NC 6150 LICENSE: CC BY-NC
6153 COMMENT: 6151 COMMENT:
6154 COMPOUND_NAME: Spirotetramat 6152 COMPOUND_NAME: Spirotetramat
6155 RETENTION_TIME: 6.637813 6153 RETENTION_TIME: 6.637813
6156 PRECURSOR_MZ: 374.1972 6154 PRECURSOR_MZ: 374.1972
6157 COLLISION_ENERGY: 6155 ADDUCT: [M+H]+
6156 COLLISION_ENERGY:
6157 INSTRUMENT_TYPE: LC-ESI-Orbitrap
6158 NUM PEAKS: 25 6158 NUM PEAKS: 25
6159 117.07031 3145654.0 6159 117.07031 3145654.0
6160 119.08569 1788706.0 6160 119.08569 1788706.0
6161 131.08598 559926.0 6161 131.08598 559926.0
6162 143.08594 1443391.0 6162 143.08594 1443391.0
6181 253.12317 483222.0 6181 253.12317 483222.0
6182 270.14972 5260680.0 6182 270.14972 5260680.0
6183 302.17508 467268.0 6183 302.17508 467268.0
6184 6184
6185 SCANNUMBER: 2785 6185 SCANNUMBER: 2785
6186 PRECURSORTYPE: [M+H]+
6187 IONMODE: Positive 6186 IONMODE: Positive
6188 SPECTRUMTYPE: Centroid 6187 SPECTRUMTYPE: Centroid
6189 FORMULA: C42H69NO10 6188 FORMULA: C42H69NO10
6190 INCHIKEY: GOENIMGKWNZVDA-RWGFPKGXSA-N 6189 INCHIKEY: GOENIMGKWNZVDA-RWGFPKGXSA-N
6191 INCHI: 6190 INCHI:
6192 SMILES: CCOC1C(OC)C(OC2CC3C(C2)C2C=C4C(C2CC3)CC(=O)OC(CC)CCCC(C(C4=O)C)OC2CCC(C(O2)C)N(C)C)OC(C1OC)C 6191 SMILES: CCOC1C(OC)C(OC2CC3C(C2)C2C=C4C(C2CC3)CC(=O)OC(CC)CCCC(C(C4=O)C)OC2CCC(C(O2)C)N(C)C)OC(C1OC)C
6193 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 6192 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
6194 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 6193 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
6195 INSTRUMENTTYPE: LC-ESI-Orbitrap
6196 IONIZATION: ESI+ 6194 IONIZATION: ESI+
6197 LICENSE: CC BY-NC 6195 LICENSE: CC BY-NC
6198 COMMENT: 6196 COMMENT:
6199 COMPOUND_NAME: Spinetoram J 6197 COMPOUND_NAME: Spinetoram J
6200 RETENTION_TIME: 6.875065 6198 RETENTION_TIME: 6.875065
6201 PRECURSOR_MZ: 748.4996 6199 PRECURSOR_MZ: 748.4996
6202 COLLISION_ENERGY: 6200 ADDUCT: [M+H]+
6201 COLLISION_ENERGY:
6202 INSTRUMENT_TYPE: LC-ESI-Orbitrap
6203 NUM PEAKS: 19 6203 NUM PEAKS: 19
6204 87.04429 367892.0 6204 87.04429 367892.0
6205 95.04928 288081.0 6205 95.04928 288081.0
6206 97.06488 2777411.0 6206 97.06488 2777411.0
6207 98.09655 8992013.0 6207 98.09655 8992013.0
6220 199.11194 246050.0 6220 199.11194 246050.0
6221 203.10715 581698.0 6221 203.10715 581698.0
6222 217.12222 236328.0 6222 217.12222 236328.0
6223 6223
6224 SCANNUMBER: 1646 6224 SCANNUMBER: 1646
6225 PRECURSORTYPE: [M+H]+
6226 IONMODE: Positive 6225 IONMODE: Positive
6227 SPECTRUMTYPE: Centroid 6226 SPECTRUMTYPE: Centroid
6228 FORMULA: C25H24N4F6 6227 FORMULA: C25H24N4F6
6229 INCHIKEY: IQVNEKKDSLOHHK-UHFFFAOYSA-N 6228 INCHIKEY: IQVNEKKDSLOHHK-UHFFFAOYSA-N
6230 INCHI: 6229 INCHI:
6231 SMILES: CC1(C)CNC(=NC1)NN=C(C=Cc1ccc(cc1)C(F)(F)F)C=Cc1ccc(cc1)C(F)(F)F 6230 SMILES: CC1(C)CNC(=NC1)NN=C(C=Cc1ccc(cc1)C(F)(F)F)C=Cc1ccc(cc1)C(F)(F)F
6232 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 6231 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
6233 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 6232 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
6234 INSTRUMENTTYPE: LC-ESI-Orbitrap
6235 IONIZATION: ESI+ 6233 IONIZATION: ESI+
6236 LICENSE: CC BY-NC 6234 LICENSE: CC BY-NC
6237 COMMENT: 6235 COMMENT:
6238 COMPOUND_NAME: Hydramethylnon 6236 COMPOUND_NAME: Hydramethylnon
6239 RETENTION_TIME: 6.67979 6237 RETENTION_TIME: 6.67979
6240 PRECURSOR_MZ: 495.1986 6238 PRECURSOR_MZ: 495.1986
6241 COLLISION_ENERGY: 6239 ADDUCT: [M+H]+
6240 COLLISION_ENERGY:
6241 INSTRUMENT_TYPE: LC-ESI-Orbitrap
6242 NUM PEAKS: 48 6242 NUM PEAKS: 48
6243 86.09703 592073.0 6243 86.09703 592073.0
6244 97.07668 1102254.0 6244 97.07668 1102254.0
6245 102.04713 162761.0 6245 102.04713 162761.0
6246 109.07671 152336.0 6246 109.07671 152336.0
6288 366.07346 193709.0 6288 366.07346 193709.0
6289 368.08932 5815862.0 6289 368.08932 5815862.0
6290 495.20059 2433116.0 6290 495.20059 2433116.0
6291 6291
6292 SCANNUMBER: 742 6292 SCANNUMBER: 742
6293 PRECURSORTYPE: [M+H]+
6294 IONMODE: Positive 6293 IONMODE: Positive
6295 SPECTRUMTYPE: Centroid 6294 SPECTRUMTYPE: Centroid
6296 FORMULA: C11H16N2O2 6295 FORMULA: C11H16N2O2
6297 INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N 6296 INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N
6298 INCHI: 6297 INCHI:
6299 SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O 6298 SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O
6300 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 6299 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
6301 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 6300 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
6302 INSTRUMENTTYPE: LC-ESI-Orbitrap
6303 IONIZATION: ESI+ 6301 IONIZATION: ESI+
6304 LICENSE: CC BY-NC 6302 LICENSE: CC BY-NC
6305 COMMENT: 6303 COMMENT:
6306 COMPOUND_NAME: Aminocarb_1 6304 COMPOUND_NAME: Aminocarb_1
6307 RETENTION_TIME: 0.8035756 6305 RETENTION_TIME: 0.8035756
6308 PRECURSOR_MZ: 209.129 6306 PRECURSOR_MZ: 209.129
6309 COLLISION_ENERGY: 6307 ADDUCT: [M+H]+
6308 COLLISION_ENERGY:
6309 INSTRUMENT_TYPE: LC-ESI-Orbitrap
6310 NUM PEAKS: 5 6310 NUM PEAKS: 5
6311 120.05733 176701.0 6311 120.05733 176701.0
6312 122.06016 1917070.0 6312 122.06016 1917070.0
6313 136.07611 928093.0 6313 136.07611 928093.0
6314 137.08363 8823033.0 6314 137.08363 8823033.0
6315 152.10725 186336.0 6315 152.10725 186336.0
6316 6316
6317 SCANNUMBER: 1198 6317 SCANNUMBER: 1198
6318 PRECURSORTYPE: [M+H]+
6319 IONMODE: Positive 6318 IONMODE: Positive
6320 SPECTRUMTYPE: Centroid 6319 SPECTRUMTYPE: Centroid
6321 FORMULA: C11H16N2O2 6320 FORMULA: C11H16N2O2
6322 INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N 6321 INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N
6323 INCHI: 6322 INCHI:
6324 SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O 6323 SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O
6325 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 6324 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
6326 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 6325 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
6327 INSTRUMENTTYPE: LC-ESI-Orbitrap
6328 IONIZATION: ESI+ 6326 IONIZATION: ESI+
6329 LICENSE: CC BY-NC 6327 LICENSE: CC BY-NC
6330 COMMENT: 6328 COMMENT:
6331 COMPOUND_NAME: Aminocarb_2 6329 COMPOUND_NAME: Aminocarb_2
6332 RETENTION_TIME: 1.13997 6330 RETENTION_TIME: 1.13997
6333 PRECURSOR_MZ: 209.129 6331 PRECURSOR_MZ: 209.129
6334 COLLISION_ENERGY: 6332 ADDUCT: [M+H]+
6333 COLLISION_ENERGY:
6334 INSTRUMENT_TYPE: LC-ESI-Orbitrap
6335 NUM PEAKS: 5 6335 NUM PEAKS: 5
6336 120.05733 247123.0 6336 120.05733 247123.0
6337 122.06016 2666029.0 6337 122.06016 2666029.0
6338 136.07611 1253139.0 6338 136.07611 1253139.0
6339 137.08363 12201258.0 6339 137.08363 12201258.0
6340 152.10725 242082.0 6340 152.10725 242082.0
6341 6341
6342 SCANNUMBER: 687 6342 SCANNUMBER: 687
6343 PRECURSORTYPE: [M+H]+
6344 IONMODE: Positive 6343 IONMODE: Positive
6345 SPECTRUMTYPE: Centroid 6344 SPECTRUMTYPE: Centroid
6346 FORMULA: C9H20N2O2 6345 FORMULA: C9H20N2O2
6347 INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N 6346 INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N
6348 INCHI: 6347 INCHI:
6349 SMILES: CCCOC(=NCCCN(C)C)O 6348 SMILES: CCCOC(=NCCCN(C)C)O
6350 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 6349 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
6351 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 6350 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
6352 INSTRUMENTTYPE: LC-ESI-Orbitrap
6353 IONIZATION: ESI+ 6351 IONIZATION: ESI+
6354 LICENSE: CC BY-NC 6352 LICENSE: CC BY-NC
6355 COMMENT: 6353 COMMENT:
6356 COMPOUND_NAME: Propamocarb_1 6354 COMPOUND_NAME: Propamocarb_1
6357 RETENTION_TIME: 0.7535679 6355 RETENTION_TIME: 0.7535679
6358 PRECURSOR_MZ: 189.1603 6356 PRECURSOR_MZ: 189.1603
6359 COLLISION_ENERGY: 6357 ADDUCT: [M+H]+
6358 COLLISION_ENERGY:
6359 INSTRUMENT_TYPE: LC-ESI-Orbitrap
6360 NUM PEAKS: 2 6360 NUM PEAKS: 2
6361 86.0966 201548.0 6361 86.0966 201548.0
6362 102.05516 5038638.0 6362 102.05516 5038638.0
6363 6363
6364 SCANNUMBER: 1108 6364 SCANNUMBER: 1108
6365 PRECURSORTYPE: [M+H]+
6366 IONMODE: Positive 6365 IONMODE: Positive
6367 SPECTRUMTYPE: Centroid 6366 SPECTRUMTYPE: Centroid
6368 FORMULA: C9H20N2O2 6367 FORMULA: C9H20N2O2
6369 INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N 6368 INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N
6370 INCHI: 6369 INCHI:
6371 SMILES: CCCOC(=NCCCN(C)C)O 6370 SMILES: CCCOC(=NCCCN(C)C)O
6372 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 6371 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
6373 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 6372 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
6374 INSTRUMENTTYPE: LC-ESI-Orbitrap
6375 IONIZATION: ESI+ 6373 IONIZATION: ESI+
6376 LICENSE: CC BY-NC 6374 LICENSE: CC BY-NC
6377 COMMENT: 6375 COMMENT:
6378 COMPOUND_NAME: Propamocarb_2 6376 COMPOUND_NAME: Propamocarb_2
6379 RETENTION_TIME: 1.081971 6377 RETENTION_TIME: 1.081971
6380 PRECURSOR_MZ: 189.1603 6378 PRECURSOR_MZ: 189.1603
6381 COLLISION_ENERGY: 6379 ADDUCT: [M+H]+
6380 COLLISION_ENERGY:
6381 INSTRUMENT_TYPE: LC-ESI-Orbitrap
6382 NUM PEAKS: 2 6382 NUM PEAKS: 2
6383 86.0966 107829.0 6383 86.0966 107829.0
6384 102.05516 2507023.0 6384 102.05516 2507023.0
6385 6385
6386 SCANNUMBER: 711 6386 SCANNUMBER: 711
6387 PRECURSORTYPE: [M+H]+
6388 IONMODE: Positive 6387 IONMODE: Positive
6389 SPECTRUMTYPE: Centroid 6388 SPECTRUMTYPE: Centroid
6390 FORMULA: C11H15N3O2 6389 FORMULA: C11H15N3O2
6391 INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N 6390 INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N
6392 INCHI: 6391 INCHI:
6393 SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O 6392 SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O
6394 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 6393 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
6395 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 6394 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
6396 INSTRUMENTTYPE: LC-ESI-Orbitrap
6397 IONIZATION: ESI+ 6395 IONIZATION: ESI+
6398 LICENSE: CC BY-NC 6396 LICENSE: CC BY-NC
6399 COMMENT: 6397 COMMENT:
6400 COMPOUND_NAME: Formetanate_1 6398 COMPOUND_NAME: Formetanate_1
6401 RETENTION_TIME: 0.7730471 6399 RETENTION_TIME: 0.7730471
6402 PRECURSOR_MZ: 222.1239 6400 PRECURSOR_MZ: 222.1239
6403 COLLISION_ENERGY: 6401 ADDUCT: [M+H]+
6402 COLLISION_ENERGY:
6403 INSTRUMENT_TYPE: LC-ESI-Orbitrap
6404 NUM PEAKS: 13 6404 NUM PEAKS: 13
6405 93.03365 1796.0 6405 93.03365 1796.0
6406 107.04935 1981.0 6406 107.04935 1981.0
6407 111.04435 82262.0 6407 111.04435 82262.0
6408 118.04142 1927.0 6408 118.04142 1927.0
6415 173.50876 2616.0 6415 173.50876 2616.0
6416 200.05632 2056.0 6416 200.05632 2056.0
6417 208.52768 2170.0 6417 208.52768 2170.0
6418 6418
6419 SCANNUMBER: 1161 6419 SCANNUMBER: 1161
6420 PRECURSORTYPE: [M+H]+
6421 IONMODE: Positive 6420 IONMODE: Positive
6422 SPECTRUMTYPE: Centroid 6421 SPECTRUMTYPE: Centroid
6423 FORMULA: C11H15N3O2 6422 FORMULA: C11H15N3O2
6424 INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N 6423 INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N
6425 INCHI: 6424 INCHI:
6426 SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O 6425 SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O
6427 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 6426 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
6428 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 6427 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
6429 INSTRUMENTTYPE: LC-ESI-Orbitrap
6430 IONIZATION: ESI+ 6428 IONIZATION: ESI+
6431 LICENSE: CC BY-NC 6429 LICENSE: CC BY-NC
6432 COMMENT: 6430 COMMENT:
6433 COMPOUND_NAME: Formetanate_2 6431 COMPOUND_NAME: Formetanate_2
6434 RETENTION_TIME: 1.13043 6432 RETENTION_TIME: 1.13043
6435 PRECURSOR_MZ: 222.1239 6433 PRECURSOR_MZ: 222.1239
6436 COLLISION_ENERGY: 6434 ADDUCT: [M+H]+
6435 COLLISION_ENERGY:
6436 INSTRUMENT_TYPE: LC-ESI-Orbitrap
6437 NUM PEAKS: 15 6437 NUM PEAKS: 15
6438 91.05441 6330.0 6438 91.05441 6330.0
6439 93.03365 27201.0 6439 93.03365 27201.0
6440 107.04935 4024.0 6440 107.04935 4024.0
6441 111.04435 131558.0 6441 111.04435 131558.0
6450 145.06488 3067.0 6450 145.06488 3067.0
6451 164.95049 3848.0 6451 164.95049 3848.0
6452 165.1024 263802.0 6452 165.1024 263802.0
6453 6453
6454 SCANNUMBER: 1328 6454 SCANNUMBER: 1328
6455 PRECURSORTYPE: [M+H]+
6456 IONMODE: Positive 6455 IONMODE: Positive
6457 SPECTRUMTYPE: Centroid 6456 SPECTRUMTYPE: Centroid
6458 FORMULA: C12H18N2O2 6457 FORMULA: C12H18N2O2
6459 INCHIKEY: YNEVBPNZHBAYOA-UHFFFAOYSA-N 6458 INCHIKEY: YNEVBPNZHBAYOA-UHFFFAOYSA-N
6460 INCHI: 6459 INCHI:
6461 SMILES: CN=C(Oc1cc(C)c(c(c1)C)N(C)C)O 6460 SMILES: CN=C(Oc1cc(C)c(c(c1)C)N(C)C)O
6462 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 6461 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
6463 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 6462 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
6464 INSTRUMENTTYPE: LC-ESI-Orbitrap
6465 IONIZATION: ESI+ 6463 IONIZATION: ESI+
6466 LICENSE: CC BY-NC 6464 LICENSE: CC BY-NC
6467 COMMENT: 6465 COMMENT:
6468 COMPOUND_NAME: Mexacarbate 6466 COMPOUND_NAME: Mexacarbate
6469 RETENTION_TIME: 1.682191 6467 RETENTION_TIME: 1.682191
6470 PRECURSOR_MZ: 223.1443 6468 PRECURSOR_MZ: 223.1443
6471 COLLISION_ENERGY: 6469 ADDUCT: [M+H]+
6470 COLLISION_ENERGY:
6471 INSTRUMENT_TYPE: LC-ESI-Orbitrap
6472 NUM PEAKS: 5 6472 NUM PEAKS: 5
6473 134.07283 2632951.0 6473 134.07283 2632951.0
6474 136.07611 26036728.0 6474 136.07611 26036728.0
6475 150.092 1572118.0 6475 150.092 1572118.0
6476 151.09932 54847764.0 6476 151.09932 54847764.0
6477 166.12282 1541928.0 6477 166.12282 1541928.0
6478 6478
6479 SCANNUMBER: 3999 6479 SCANNUMBER: 3999
6480 PRECURSORTYPE: [M+H]+
6481 IONMODE: Positive 6480 IONMODE: Positive
6482 SPECTRUMTYPE: Centroid 6481 SPECTRUMTYPE: Centroid
6483 FORMULA: C19H21N2OCl 6482 FORMULA: C19H21N2OCl
6484 INCHIKEY: OGYFATSSENRIKG-UHFFFAOYSA-N 6483 INCHIKEY: OGYFATSSENRIKG-UHFFFAOYSA-N
6485 INCHI: 6484 INCHI:
6486 SMILES: Clc1ccc(cc1)CN(C(=Nc1ccccc1)O)C1CCCC1 6485 SMILES: Clc1ccc(cc1)CN(C(=Nc1ccccc1)O)C1CCCC1
6487 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 6486 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
6488 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 6487 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
6489 INSTRUMENTTYPE: LC-ESI-Orbitrap
6490 IONIZATION: ESI+ 6488 IONIZATION: ESI+
6491 LICENSE: CC BY-NC 6489 LICENSE: CC BY-NC
6492 COMMENT: 6490 COMMENT:
6493 COMPOUND_NAME: Monceren 6491 COMPOUND_NAME: Monceren
6494 RETENTION_TIME: 7.14553 6492 RETENTION_TIME: 7.14553
6495 PRECURSOR_MZ: 329.1426 6493 PRECURSOR_MZ: 329.1426
6496 COLLISION_ENERGY: 6494 ADDUCT: [M+H]+
6495 COLLISION_ENERGY:
6496 INSTRUMENT_TYPE: LC-ESI-Orbitrap
6497 NUM PEAKS: 5 6497 NUM PEAKS: 5
6498 89.03881 550831.0 6498 89.03881 550831.0
6499 94.06543 635265.0 6499 94.06543 635265.0
6500 106.06545 446416.0 6500 106.06545 446416.0
6501 125.01307 512150.0 6501 125.01307 512150.0
6502 125.01532 37442116.0 6502 125.01532 37442116.0
6503 6503
6504 SCANNUMBER: 2271 6504 SCANNUMBER: 2271
6505 PRECURSORTYPE: [M+H]+
6506 IONMODE: Positive 6505 IONMODE: Positive
6507 SPECTRUMTYPE: Centroid 6506 SPECTRUMTYPE: Centroid
6508 FORMULA: C16H16N2O4 6507 FORMULA: C16H16N2O4
6509 INCHIKEY: WZJZMXBKUWKXTQ-UHFFFAOYSA-N 6508 INCHIKEY: WZJZMXBKUWKXTQ-UHFFFAOYSA-N
6510 INCHI: 6509 INCHI:
6511 SMILES: CCOC(=Nc1cccc(c1)OC(=Nc1ccccc1)O)O 6510 SMILES: CCOC(=Nc1cccc(c1)OC(=Nc1ccccc1)O)O
6512 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 6511 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
6513 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 6512 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
6514 INSTRUMENTTYPE: LC-ESI-Orbitrap
6515 IONIZATION: ESI+ 6513 IONIZATION: ESI+
6516 LICENSE: CC BY-NC 6514 LICENSE: CC BY-NC
6517 COMMENT: 6515 COMMENT:
6518 COMPOUND_NAME: Desmedipham 6516 COMPOUND_NAME: Desmedipham
6519 RETENTION_TIME: 6.430396 6517 RETENTION_TIME: 6.430396
6520 PRECURSOR_MZ: 301.1192 6518 PRECURSOR_MZ: 301.1192
6521 COLLISION_ENERGY: 6519 ADDUCT: [M+H]+
6520 COLLISION_ENERGY:
6521 INSTRUMENT_TYPE: LC-ESI-Orbitrap
6522 NUM PEAKS: 3 6522 NUM PEAKS: 3
6523 136.03947 1773399.0 6523 136.03947 1773399.0
6524 154.04993 1002798.0 6524 154.04993 1002798.0
6525 182.08162 6480130.0 6525 182.08162 6480130.0
6526 6526
6527 SCANNUMBER: 2458 6527 SCANNUMBER: 2458
6528 PRECURSORTYPE: [M+H]+
6529 IONMODE: Positive 6528 IONMODE: Positive
6530 SPECTRUMTYPE: Centroid 6529 SPECTRUMTYPE: Centroid
6531 FORMULA: C16H16N2O4 6530 FORMULA: C16H16N2O4
6532 INCHIKEY: IDOWTHOLJBTAFI-UHFFFAOYSA-N 6531 INCHIKEY: IDOWTHOLJBTAFI-UHFFFAOYSA-N
6533 INCHI: 6532 INCHI:
6534 SMILES: COC(=Nc1cccc(c1)OC(=Nc1cccc(c1)C)O)O 6533 SMILES: COC(=Nc1cccc(c1)OC(=Nc1cccc(c1)C)O)O
6535 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) 6534 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
6536 INSTRUMENT: LC Orbitrap Fusion Tribrid MS 6535 INSTRUMENT: LC Orbitrap Fusion Tribrid MS
6537 INSTRUMENTTYPE: LC-ESI-Orbitrap
6538 IONIZATION: ESI+ 6536 IONIZATION: ESI+
6539 LICENSE: CC BY-NC 6537 LICENSE: CC BY-NC
6540 COMMENT: 6538 COMMENT:
6541 COMPOUND_NAME: Phenmedipham 6539 COMPOUND_NAME: Phenmedipham
6542 RETENTION_TIME: 6.570995 6540 RETENTION_TIME: 6.570995
6543 PRECURSOR_MZ: 301.1185 6541 PRECURSOR_MZ: 301.1185
6544 COLLISION_ENERGY: 6542 ADDUCT: [M+H]+
6543 COLLISION_ENERGY:
6544 INSTRUMENT_TYPE: LC-ESI-Orbitrap
6545 NUM PEAKS: 2 6545 NUM PEAKS: 2
6546 136.03947 2596929.0 6546 136.03947 2596929.0
6547 168.06587 7038054.0 6547 168.06587 7038054.0
6548 6548