Mol:PR100840
From Metabolomics.JP
(Difference between revisions)
| Line 2: | Line 2: | ||
| − | 9 8 0 0 1 0 0 0 0 0999 V2000 | + | 9 8 0 0 1 0 0 0 0 0999 V2000 |
| − | 22.4922 -17.1397 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 22.4922 -17.1397 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 23.6796 -16.4029 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 23.6796 -16.4029 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 21.2581 -16.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 21.2581 -16.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 22.5391 -18.5377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 22.5391 -18.5377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 24.9137 -17.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 24.9137 -17.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 23.6387 -15.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 23.6387 -15.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 20.1001 -17.2742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.1001 -17.2742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 21.2815 -15.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 21.2815 -15.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 26.1069 -16.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 26.1069 -16.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 | + | 1 2 1 0 0 0 |
| − | 1 3 1 0 0 0 | + | 1 3 1 0 0 0 |
| − | 1 4 1 1 0 0 | + | 1 4 1 1 0 0 |
| − | 2 5 1 0 0 0 | + | 2 5 1 0 0 0 |
| − | 2 6 1 1 0 0 | + | 2 6 1 1 0 0 |
| − | 3 7 1 0 0 0 | + | 3 7 1 0 0 0 |
| − | 3 8 2 0 0 0 | + | 3 8 2 0 0 0 |
| − | 5 9 1 0 0 0 | + | 5 9 1 0 0 0 |
| − | PR100840n.mol:cas nothing | + | PR100840n.mol:cas nothing |
| + | S SKP 5 | ||
| + | ID PR100840 | ||
| + | FORMULA C6H13NO2 | ||
| + | EXACTMASS 131.094628665 | ||
| + | AVERAGEMASS 131.17296 | ||
| + | SMILES CC[C@H](C)[C@@H](N)C(O)=O | ||
M END | M END | ||
Latest revision as of 10:32, 23 December 2009
9 8 0 0 1 0 0 0 0 0999 V2000 22.4922 -17.1397 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.6796 -16.4029 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.2581 -16.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5391 -18.5377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9137 -17.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6387 -15.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1001 -17.2742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2815 -15.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1069 -16.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 1 0 0 2 5 1 0 0 0 2 6 1 1 0 0 3 7 1 0 0 0 3 8 2 0 0 0 5 9 1 0 0 0 PR100840n.mol:cas nothing S SKP 5 ID PR100840 FORMULA C6H13NO2 EXACTMASS 131.094628665 AVERAGEMASS 131.17296 SMILES CC[C@H](C)[C@@H](N)C(O)=O M END
