Mercurial > repos > workflow4metabolomics > ms2snoop
diff test-data/compounds_pos_old_format.txt @ 4:856001213966 draft
planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
author | workflow4metabolomics |
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date | Wed, 06 Jul 2022 10:38:39 +0000 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/compounds_pos_old_format.txt Wed Jul 06 10:38:39 2022 +0000 @@ -0,0 +1,33 @@ +Compounds mz rt +2-diethylamino-6-methyl pyrimidin-4-ol one 182.12879 345.0 +5-hydroxy-thiabendazole 218.03826 315.0 +acetamiprid-N-desmethyl 209.05885 526.2 +Acetochlor 270.12554 1158.6 +Avermectin B1a (Abamectin) 895.49221 1663.8 +Benzophenone-3 (Oxybenzone) 229.08592 1178.4 +Butocarboxim 191.0849 1267.8 +Carbendazim 192.07676 339.0 +Cefoperazone 646.1497 1755.0 +Chlorfenvinphos 358.97681 1255.8 +Chlormequat 122.0737 54.0 +Desisopropylatrazine 174.0541 399.0 +Dichlorvos 220.9532 763.2 +Dimethyldithiophosphate 158.96979 615.0 +Emamectin B1a 886.5311 1663.8 +Fluopyram 397.05369 1161.0 +Hydroxy-tebuconazole 324.14733 1098.6 +Isoproturon 207.14919 936.0 +Ivermectin B1a 897.4971 1650.0 +Malathion dicarboxilic acid 274.98075 574.8 +Methamidophos 142.0086 139.2 +Metolachlor 284.14119 1158.0 +N,N-diethyl-m-toluamide ou DEET 192.13829 945.0 +Nigericin 747.4654 1663.8 +Omethoate 214.02975 237.0 +Prochloraz 376.03809 1271.4 +p-Toluenesulfonamide 172.04323 393.0 +Rifaximin 786.3596 1183.2 +Spinosad A (Spinosyn A) 732.4681 1212.0 +TCMTB 238.9766 1032.0 +Trichlorfon (Dylox) 256.9299 444.0 +Tylosin 916.5264 909.0