Mol:PR100107
From Metabolomics.JP
(Difference between revisions)
| Line 2: | Line 2: | ||
| − | 7 7 0 0 0 0 0 0 0 0999 V2000 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 2 2 0 0 0 |
| − | 1 3 1 0 0 0 | + | 1 3 1 0 0 0 |
| − | 1 4 1 0 0 0 | + | 1 4 1 0 0 0 |
| − | 2 5 1 0 0 0 | + | 2 5 1 0 0 0 |
| − | 3 6 2 0 0 0 | + | 3 6 2 0 0 0 |
| − | 5 7 2 0 0 0 | + | 5 7 2 0 0 0 |
| − | 6 7 1 0 0 0 | + | 6 7 1 0 0 0 |
| − | S SKP | + | S SKP 7 |
| − | CAS_RN 62-53-3 | + | CAS_RN 62-53-3 |
| − | NAME Aniline | + | NAME Aniline |
| + | ID PR100107 | ||
| + | FORMULA C6H7N | ||
| + | EXACTMASS 93.057849229 | ||
| + | AVERAGEMASS 93.12652 | ||
| + | SMILES Nc(c1)cccc1 | ||
M END | M END | ||
Latest revision as of 16:44, 14 January 2011
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 S SKP 7 CAS_RN 62-53-3 NAME Aniline ID PR100107 FORMULA C6H7N EXACTMASS 93.057849229 AVERAGEMASS 93.12652 SMILES Nc(c1)cccc1 M END
