Mercurial > repos > workflow4metabolomics > ms2snoop

annotate test-data/compounds_pos.csv @ 5:78d5a12406c2 draft

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planemo upload commit a5f94dac9b268629399dc22c5d6ac48c5a85adc3
author workflow4metabolomics
date Fri, 05 Aug 2022 17:25:45 +0000
parents 856001213966
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
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1 Compound_name,mz,rtsec,inchikey,elemcomposition
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2 2-diethylamino-6-methyl pyrimidin-4-ol one,182.12879,345.0,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
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3 5-hydroxy-thiabendazole,218.03826,315.0,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
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4 acetamiprid-N-desmethyl,209.05885,526.2,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
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5 Acetochlor,270.12554,1158.6,,
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6 Avermectin B1a (Abamectin),895.49221,1663.8,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
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7 Benzophenone-3 (Oxybenzone),229.08592,1178.4,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
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8 Butocarboxim,191.0849,1267.8,,
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9 Carbendazim,192.07676,339.0,,
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10 Cefoperazone,646.1497,1755.0,,
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11 Chlorfenvinphos,358.97681,1255.8,,
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12 Chlormequat,122.0737,54.0,,
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13 Desisopropylatrazine,174.0541,399.0,,
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14 Dichlorvos,220.9532,763.2,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
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15 Dimethyldithiophosphate,158.96979,615.0,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
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16 Emamectin B1a,886.5311,1663.8,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
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17 Fluopyram,397.05369,1161.0,,
856001213966 planemo upload commit 53543b5d911fc1f2d204f314a4d2aaf93a8c7715
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18 Hydroxy-tebuconazole,324.14733,1098.6,,
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19 Isoproturon,207.14919,936.0,,
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20 Ivermectin B1a ,897.4971,1650.0,,
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21 Malathion dicarboxilic acid,274.98075,574.8,,
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22 Methamidophos,142.0086,139.2,,
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23 Metolachlor,284.14119,1158.0,,
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24 "N,N-diethyl-m-toluamide ou DEET",192.13829,945.0,,
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25 Nigericin,747.4654,1663.8,,
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26 Omethoate,214.02975,237.0,,
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27 Prochloraz,376.03809,1271.4,,
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28 p-Toluenesulfonamide,172.04323,393.0,,
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29 Rifaximin,786.3596,1183.2,,
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30 Spinosad A (Spinosyn A),732.4681,1212.0,,
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31 TCMTB,238.9766,1032.0,,
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32 Trichlorfon (Dylox),256.9299,444.0,,
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33 Tylosin,916.5264,909.0,,