Mercurial > repos > recetox > msp_merge
annotate test-data/sample_output.msp @ 0:d19767887ccb draft default tip
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
| author | recetox | 
|---|---|
| date | Thu, 19 May 2022 12:03:55 +0000 | 
| parents | |
| children | 
| rev | line source | 
|---|---|
| 0 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 1 SYNONYM: 1-NITROPYRENE | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 2 DB#: JP000001 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 3 INCHIKEY: ALRLPDGCPYIVHP-UHFFFAOYSA-N | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 4 MW: 247.063328528 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 5 FORMULA: C16H9NO2 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 6 ACCESSION: JP000001 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 7 AUTHOR: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 8 LICENSE: CC BY-NC-SA | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 9 INSTRUMENT: VARIAN MAT-44 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 10 SMILES: [O-1][N+1](=O)c(c4)c(c1)c(c3c4)c(c2cc3)c(ccc2)c1 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 11 INCHI: InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 12 SMILES_2: [H]C=1C([H])=C2C([H])=C([H])C3=C([H])C([H])=C(C=4C([H])=C([H])C(C1[H])=C2C34)N(=O)=O | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 13 INSTRUMENT_TYPE: EI-B | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 14 MS_LEVEL: MS1 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 15 IONIZATION_ENERGY: 70 eV | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 16 ION_TYPE: [M]+* | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 17 IONIZATION_MODE: positive | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 18 LAST_AUTO-CURATION: 1495210335755 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 19 MOLECULAR_FORMULA: C16H9NO2 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 20 TOTAL_EXACT_MASS: 247.063328528 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 21 COMPOUND_NAME: 1-NITROPYRENE | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 22 PRECURSOR_MZ: 0.0 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 23 PARENT_MASS: 247.06333 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 24 NUM PEAKS: 75 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 25 51.0 2.66 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 26 55.0 8.0 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 27 57.0 7.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 28 58.0 1.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 29 59.0 1.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 30 60.0 14.0 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 31 61.0 1.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 32 62.0 3.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 33 63.0 3.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 34 66.0 1.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 35 68.0 8.66 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 36 70.0 2.0 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 37 72.0 5.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 38 73.0 7.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 39 74.0 3.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 40 75.0 2.66 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 41 76.0 2.0 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 42 78.0 1.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 43 80.0 4.0 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 44 81.0 2.0 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 45 82.0 1.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 46 83.0 3.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 47 86.0 12.66 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 48 87.0 8.66 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 49 92.0 2.0 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 50 93.0 10.0 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 51 94.0 6.0 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 52 98.0 14.66 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 53 99.0 83.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 54 100.0 60.66 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 55 104.0 4.0 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 56 107.0 1.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 57 108.0 1.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 58 110.0 3.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 59 112.0 1.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 60 113.0 1.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 61 115.0 1.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 62 116.0 1.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 63 120.0 1.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 64 122.0 4.0 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 65 123.0 2.66 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 66 124.0 2.66 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 67 125.0 2.0 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 68 126.0 1.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 69 134.0 1.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 70 135.0 2.0 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 71 137.0 1.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 72 147.0 1.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 73 149.0 2.0 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 74 150.0 4.66 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 75 151.0 3.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 76 159.0 2.0 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 77 162.0 2.0 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 78 163.0 2.66 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 79 173.0 2.0 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 80 174.0 8.66 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 81 175.0 4.66 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 82 177.0 2.0 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 83 187.0 5.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 84 188.0 4.66 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 85 189.0 56.66 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 86 190.0 12.0 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 87 191.0 16.66 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 88 198.0 10.66 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 89 199.0 9.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 90 200.0 72.66 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 91 201.0 99.99 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 92 202.0 16.0 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 93 203.0 1.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 94 207.0 1.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 95 214.0 1.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 96 217.0 25.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 97 218.0 5.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 98 247.0 52.66 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 99 248.0 10.16 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 100 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 101 SYNONYM: 2,3-DICHLOROPHENOL | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 102 DB#: JP000006 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 103 INCHIKEY: UMPSXRYVXUPCOS-UHFFFAOYSA-N | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 104 MW: 161.963920108 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 105 FORMULA: C6H4Cl2O | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 106 ACCESSION: JP000006 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 107 AUTHOR: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 108 LICENSE: CC BY-NC-SA | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 109 INSTRUMENT: VARIAN MAT-44 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 110 SMILES: Oc(c1)c(Cl)c(Cl)cc1 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 111 INCHI: InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 112 SMILES_2: [H]OC=1C([H])=C([H])C([H])=C(Cl)C1Cl | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 113 INSTRUMENT_TYPE: EI-B | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 114 MS_LEVEL: MS1 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 115 IONIZATION_ENERGY: 70 eV | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 116 ION_TYPE: [M]+* | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 117 IONIZATION_MODE: positive | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 118 LAST_AUTO-CURATION: 1495210335870 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 119 MOLECULAR_FORMULA: C6H4Cl2O | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 120 TOTAL_EXACT_MASS: 161.963920108 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 121 COMPOUND_NAME: 2,3-DICHLOROPHENOL | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 122 PRECURSOR_MZ: 0.0 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 123 PARENT_MASS: 161.96392 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 124 NUM PEAKS: 42 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 125 51.0 4.43 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 126 53.0 10.39 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 127 60.0 9.21 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 128 61.0 24.93 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 129 62.0 43.19 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 130 63.0 99.99 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 131 64.0 12.57 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 132 65.0 4.81 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 133 66.0 3.39 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 134 71.0 3.67 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 135 72.0 15.34 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 136 73.0 25.07 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 137 74.0 11.84 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 138 75.0 8.79 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 139 81.0 4.78 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 140 82.0 3.25 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 141 83.0 2.63 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 142 84.0 3.87 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 143 85.0 2.49 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 144 87.0 5.09 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 145 89.0 2.21 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 146 91.0 6.02 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 147 96.0 3.11 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 148 97.0 12.05 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 149 98.0 35.88 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 150 99.0 22.09 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 151 100.0 13.5 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 152 101.0 6.26 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 153 107.0 3.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 154 109.0 2.73 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 155 125.0 3.11 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 156 126.0 59.16 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 157 127.0 5.61 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 158 128.0 19.32 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 159 133.0 5.33 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 160 135.0 2.84 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 161 161.0 2.52 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 162 162.0 68.96 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 163 163.0 6.51 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 164 164.0 51.64 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 165 165.0 2.9 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 166 166.0 7.58 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 167 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 168 SYNONYM: 2,4-DICHLOROPHENOL | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 169 DB#: JP000007 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 170 INCHIKEY: HFZWRUODUSTPEG-UHFFFAOYSA-N | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 171 MW: 161.963920108 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 172 FORMULA: C6H4Cl2O | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 173 ACCESSION: JP000007 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 174 AUTHOR: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 175 LICENSE: CC BY-NC-SA | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 176 INSTRUMENT: VARIAN MAT-44 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 177 SMILES: Oc(c1)c(Cl)cc(Cl)c1 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 178 INCHI: InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 179 SMILES_2: [H]OC1=C([H])C([H])=C(Cl)C([H])=C1Cl | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 180 INSTRUMENT_TYPE: EI-B | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 181 MS_LEVEL: MS1 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 182 IONIZATION_ENERGY: 70 eV | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 183 ION_TYPE: [M]+* | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 184 IONIZATION_MODE: positive | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 185 LAST_AUTO-CURATION: 1495210335864 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 186 MOLECULAR_FORMULA: C6H4Cl2O | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 187 TOTAL_EXACT_MASS: 161.963920108 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 188 COMPOUND_NAME: 2,4-DICHLOROPHENOL | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 189 PRECURSOR_MZ: 0.0 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 190 PARENT_MASS: 161.96392 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 191 NUM PEAKS: 37 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 192 51.0 3.07 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 193 53.0 12.34 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 194 60.0 6.21 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 195 61.0 19.31 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 196 62.0 35.08 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 197 63.0 99.99 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 198 64.0 10.24 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 199 66.0 2.25 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 200 71.0 3.05 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 201 72.0 10.59 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 202 73.0 19.52 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 203 74.0 8.59 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 204 75.0 6.44 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 205 81.0 6.82 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 206 82.0 4.45 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 207 83.0 2.77 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 208 84.0 2.03 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 209 91.0 2.34 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 210 96.0 3.78 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 211 97.0 31.79 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 212 98.0 38.03 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 213 99.0 21.59 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 214 100.0 13.06 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 215 101.0 4.67 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 216 125.0 4.82 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 217 126.0 20.32 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 218 127.0 3.76 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 219 128.0 7.38 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 220 133.0 4.02 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 221 134.0 2.72 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 222 135.0 2.64 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 223 161.0 19.22 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 224 162.0 94.19 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 225 163.0 15.34 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 226 164.0 55.32 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 227 165.0 5.54 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 228 166.0 9.19 | 
| 
d19767887ccb
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/msp_merge commit 51ff658aecc8738ef57af512229cd155763082d1
 recetox parents: diff
changeset | 229 | 
