Mol:PR100411
From Metabolomics.JP
ISISHOST03240423072D 1 1.00000 0.00000 2575 10 10 0 0 0 999 V2000 0.2207 0.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0.2207 -0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5034 0.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0.9310 0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5034 -0.9655 0.0000 N 0 3 0 0 0 0 0 0 0 -1.2207 0.2931 0.0000 C 0 0 0 0 0 0 0 0 0 1.6517 0.2966 0.0000 N 0 0 0 0 0 0 0 0 0 0.9276 1.5345 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2207 -0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5034 -1.7828 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 2 0 0 0 4 7 1 0 0 0 4 8 2 0 0 0 5 9 2 0 0 0 5 10 1 0 0 0 6 9 1 0 0 0 M CHG 1 5 1 S SKP 7 CAS_RN 3106-60-3 NAME 1-Methylnicotinamide ID PR100411 FORMULA C7H9N2O EXACTMASS 137.07148792 AVERAGEMASS 137.15924 SMILES NC(=O)c(c1)c[n+1](C)cc1 M END