Mercurial > repos > tomnl > sirius_csifingerid

annotate test-data/invalid_adduct.msp @ 8:4f7f41ac1623 draft default tip

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"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 3aeab1e21bcdecb5bbc25474d837ebac5624715a"
author tomnl
date Fri, 04 Oct 2019 07:24:44 -0400
parents b21082c0b9b7
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
5
b21082c0b9b7 planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 68d4c8427831853a6e0a307171f602c4f9a9bf71
tomnl
parents:
diff changeset
1 NAME: MZ:70.0659 | RT:1483 | XCMS_group:1 | file:1 | scan:NA | pid:NA
b21082c0b9b7 planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 68d4c8427831853a6e0a307171f602c4f9a9bf71
tomnl
parents:
diff changeset
2 PRECURSORMZ: 70.0658950805664
b21082c0b9b7 planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 68d4c8427831853a6e0a307171f602c4f9a9bf71
tomnl
parents:
diff changeset
3 ADDUCT: [M+INVALID_ADDUCT]+
b21082c0b9b7 planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 68d4c8427831853a6e0a307171f602c4f9a9bf71
tomnl
parents:
diff changeset
4 Comment:
b21082c0b9b7 planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 68d4c8427831853a6e0a307171f602c4f9a9bf71
tomnl
parents:
diff changeset
5 Num Peaks: 8
b21082c0b9b7 planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 68d4c8427831853a6e0a307171f602c4f9a9bf71
tomnl
parents:
diff changeset
6 50.4781379699707 3487.4296875 4.61
b21082c0b9b7 planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 68d4c8427831853a6e0a307171f602c4f9a9bf71
tomnl
parents:
diff changeset
7 51.0193099975586 3390.96948242188 4.49
b21082c0b9b7 planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 68d4c8427831853a6e0a307171f602c4f9a9bf71
tomnl
parents:
diff changeset
8 53.0031509399414 10011.958984375 13.25
b21082c0b9b7 planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 68d4c8427831853a6e0a307171f602c4f9a9bf71
tomnl
parents:
diff changeset
9 53.5898513793945 4252.7880859375 5.63
b21082c0b9b7 planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 68d4c8427831853a6e0a307171f602c4f9a9bf71
tomnl
parents:
diff changeset
10 54.3787727355957 3541.5107421875 4.69
b21082c0b9b7 planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 68d4c8427831853a6e0a307171f602c4f9a9bf71
tomnl
parents:
diff changeset
11 69.0455169677734 9650.0107421875 12.77
b21082c0b9b7 planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 68d4c8427831853a6e0a307171f602c4f9a9bf71
tomnl
parents:
diff changeset
12 70.0660934448242 37168.609375 49.18
b21082c0b9b7 planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 68d4c8427831853a6e0a307171f602c4f9a9bf71
tomnl
parents:
diff changeset
13 82.9910659790039 4077.36694335938 5.39