Mercurial > repos > workflow4metabolomics > ms2snoop

comparison test-data/compounds_pos.csv @ 4:856001213966 draft

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planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
author workflow4metabolomics
date Wed, 06 Jul 2022 10:38:39 +0000
parents c68c94865667
children
comparison
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3:c68c94865667 4:856001213966
1 Compounds,mz,rt 1 Compound_name,mz,rtsec,inchikey,elemcomposition
2 2-diethylamino-6-methyl pyrimidin-4-ol one,182.12879,345.0 2 2-diethylamino-6-methyl pyrimidin-4-ol one,182.12879,345.0,,
3 5-hydroxy-thiabendazole,218.03826,315.0 3 5-hydroxy-thiabendazole,218.03826,315.0,,
4 acetamiprid-N-desmethyl,209.05885,526.2 4 acetamiprid-N-desmethyl,209.05885,526.2,,
5 Acetochlor,270.12554,1158.6 5 Acetochlor,270.12554,1158.6,,
6 Avermectin B1a (Abamectin),895.49221,1663.8 6 Avermectin B1a (Abamectin),895.49221,1663.8,,
7 Benzophenone-3 (Oxybenzone),229.08592,1178.4 7 Benzophenone-3 (Oxybenzone),229.08592,1178.4,,
8 Butocarboxim,191.0849,1267.8 8 Butocarboxim,191.0849,1267.8,,
9 Carbendazim,192.07676,339.0 9 Carbendazim,192.07676,339.0,,
10 Cefoperazone,646.1497,1755.0 10 Cefoperazone,646.1497,1755.0,,
11 Chlorfenvinphos,358.97681,1255.8 11 Chlorfenvinphos,358.97681,1255.8,,
12 Chlormequat,122.0737,54.0 12 Chlormequat,122.0737,54.0,,
13 Desisopropylatrazine,174.0541,399.0 13 Desisopropylatrazine,174.0541,399.0,,
14 Dichlorvos,220.9532,763.2 14 Dichlorvos,220.9532,763.2,,
15 Dimethyldithiophosphate,158.96979,615.0 15 Dimethyldithiophosphate,158.96979,615.0,,
16 Emamectin B1a,886.5311,1663.8 16 Emamectin B1a,886.5311,1663.8,,
17 Fluopyram,397.05369,1161.0 17 Fluopyram,397.05369,1161.0,,
18 Hydroxy-tebuconazole,324.14733,1098.6 18 Hydroxy-tebuconazole,324.14733,1098.6,,
19 Isoproturon,207.14919,936.0 19 Isoproturon,207.14919,936.0,,
20 Ivermectin B1a ,897.4971,1650.0 20 Ivermectin B1a ,897.4971,1650.0,,
21 Malathion dicarboxilic acid,274.98075,574.8 21 Malathion dicarboxilic acid,274.98075,574.8,,
22 Methamidophos,142.0086,139.2 22 Methamidophos,142.0086,139.2,,
23 Metolachlor,284.14119,1158.0 23 Metolachlor,284.14119,1158.0,,
24 "N,N-diethyl-m-toluamide ou DEET",192.13829,945.0 24 "N,N-diethyl-m-toluamide ou DEET",192.13829,945.0,,
25 Nigericin,747.4654,1663.8 25 Nigericin,747.4654,1663.8,,
26 Omethoate,214.02975,237.0 26 Omethoate,214.02975,237.0,,
27 Prochloraz,376.03809,1271.4 27 Prochloraz,376.03809,1271.4,,
28 p-Toluenesulfonamide,172.04323,393.0 28 p-Toluenesulfonamide,172.04323,393.0,,
29 Rifaximin,786.3596,1183.2 29 Rifaximin,786.3596,1183.2,,
30 Spinosad A (Spinosyn A),732.4681,1212.0 30 Spinosad A (Spinosyn A),732.4681,1212.0,,
31 TCMTB,238.9766,1032.0 31 TCMTB,238.9766,1032.0,,
32 Trichlorfon (Dylox),256.9299,444.0 32 Trichlorfon (Dylox),256.9299,444.0,,
33 Tylosin,916.5264,909.0 33 Tylosin,916.5264,909.0,,