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

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planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
author workflow4metabolomics
date Wed, 06 Jul 2022 10:38:39 +0000
parents 91a3242fd67f
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