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No Metabolite ↑↓ CHEBI name ↑↓ CHEBI ID ↑↓ INCHI KEY Blood Plasma Mitra Capitainer Whatman Lab Confirmation Technique ID level curation
1 (2E)-octenoylcarnitine (2E)-octenoylcarnitine 73037 - HILIC+ 1b
2 1,3-Diaminopropane trimethylenediamine 15725 XFNJVJPLKCPIBV-UHFFFAOYSA-N RP+ 2
3 1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid 1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid 143745 - HILIC+ 2
4 1,5-Anhydrosorbitol 1,5-anhydro-D-glucitol 16070 MPCAJMNYNOGXPB-SLPGGIOYSA-N GC 2
5 10,12-Tricosadiynoic acid 10,12-tricosadiynoic acid 190947 - GC 2
6 12-Ketochenodeoxycholic acid 3alpha,7alpha-dihydroxy-12-oxo-5beta-cholanic acid 16312 MIHNUBCEFJLAGN-DMMBONCOSA-N RPLC+ 1b
7 13-Docosenamide 13-docosenamide 156290 RP+ 2
8 1-Azaniumylcyclohexane-1-carboxylate 1-amino-1-cyclohexanecarboxylic acid 86534 WOXWUZCRWJWTRT-UHFFFAOYSA-N CE+ 1a
9 1H-Indole-3-carboxaldehyde indole-3-carbaldehyde 28238 OLNJUISKUQQNIM-UHFFFAOYSA-N RP+ 1b
10 1-Methyl nicotinamide 1-methylnicotinamide 16797 LDHMAVIPBRSVRG-UHFFFAOYSA-O HILIC + 1a

Number of labs which have reported that given annotation
Level
curation
1a - MS1 Match, 1b - MS2 Match, 2 - MS2 Match