Mol:PR100107
From Metabolomics.JP
7 7 0 0 0 0 0 0 0 0999 V2000 22.1137 -15.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9122 -16.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3343 -16.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1137 -14.0598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9122 -17.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3343 -17.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1137 -18.2586 0.0000 C 0 0 0 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 5 7 2 0 0 0 6 7 1 0 0 0 PR100107p.mol:cas nothing S SKP 5 ID PR100107 FORMULA C6H7N EXACTMASS 93.057849229 AVERAGEMASS 93.12652 SMILES Nc(c1)cccc1 M END