Mercurial > repos > workflow4metabolomics > ms2snoop

annotate test-data/compounds_pos.csv @ 7:2a1f120a6874 draft default tip

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload commit d9b3849751af6f74e3371db0c3525dcd08728723
author workflow4metabolomics
date Tue, 10 Jan 2023 11:07:48 +0000
parents 856001213966
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
4
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
1 Compound_name,mz,rtsec,inchikey,elemcomposition
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
2 2-diethylamino-6-methyl pyrimidin-4-ol one,182.12879,345.0,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
3 5-hydroxy-thiabendazole,218.03826,315.0,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
4 acetamiprid-N-desmethyl,209.05885,526.2,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
5 Acetochlor,270.12554,1158.6,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
6 Avermectin B1a (Abamectin),895.49221,1663.8,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
7 Benzophenone-3 (Oxybenzone),229.08592,1178.4,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
8 Butocarboxim,191.0849,1267.8,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
9 Carbendazim,192.07676,339.0,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
10 Cefoperazone,646.1497,1755.0,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
11 Chlorfenvinphos,358.97681,1255.8,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
12 Chlormequat,122.0737,54.0,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
13 Desisopropylatrazine,174.0541,399.0,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
14 Dichlorvos,220.9532,763.2,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
15 Dimethyldithiophosphate,158.96979,615.0,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
16 Emamectin B1a,886.5311,1663.8,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
17 Fluopyram,397.05369,1161.0,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
18 Hydroxy-tebuconazole,324.14733,1098.6,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
19 Isoproturon,207.14919,936.0,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
20 Ivermectin B1a ,897.4971,1650.0,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
21 Malathion dicarboxilic acid,274.98075,574.8,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
22 Methamidophos,142.0086,139.2,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
23 Metolachlor,284.14119,1158.0,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
24 "N,N-diethyl-m-toluamide ou DEET",192.13829,945.0,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
25 Nigericin,747.4654,1663.8,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
26 Omethoate,214.02975,237.0,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
27 Prochloraz,376.03809,1271.4,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
28 p-Toluenesulfonamide,172.04323,393.0,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
29 Rifaximin,786.3596,1183.2,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
30 Spinosad A (Spinosyn A),732.4681,1212.0,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
31 TCMTB,238.9766,1032.0,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
32 Trichlorfon (Dylox),256.9299,444.0,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
workflow4metabolomics
parents: 3
diff changeset
33 Tylosin,916.5264,909.0,,