Mol:PR100404
From Metabolomics.JP
(Difference between revisions)
| Line 2: | Line 2: | ||
| − | 7 6 0 0 0 0 0 0 0 0999 V2000 | + | 7 6 0 0 0 0 0 0 0 0999 V2000 |
| − | 6.1600 -12.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1600 -12.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3724 -11.9700 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 | + | 7.3724 -11.9700 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5849 -12.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5849 -12.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7973 -11.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7973 -11.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.0097 -12.6700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.0097 -12.6700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3724 -10.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3724 -10.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3724 -13.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3724 -13.3700 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 |
| − | 2 3 1 0 0 0 | + | 2 3 1 0 0 0 |
| − | 3 4 1 0 0 0 | + | 3 4 1 0 0 0 |
| − | 4 5 1 0 0 0 | + | 4 5 1 0 0 0 |
| − | 2 6 1 0 0 0 | + | 2 6 1 0 0 0 |
| − | 2 7 1 0 0 0 | + | 2 7 1 0 0 0 |
| − | M CHG 1 2 1 | + | M CHG 1 2 1 |
| − | S SKP | + | S SKP 7 |
| − | CAS_RN 62-49-7 | + | CAS_RN 62-49-7 |
| − | NAME Choline | + | NAME Choline |
| + | ID PR100404 | ||
| + | FORMULA C5H14NO | ||
| + | EXACTMASS 104.10753907499999 | ||
| + | AVERAGEMASS 104.1708 | ||
| + | SMILES OCC[N+1](C)(C)C | ||
M END | M END | ||
Latest revision as of 16:44, 14 January 2011
7 6 0 0 0 0 0 0 0 0999 V2000
6.1600 -12.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3724 -11.9700 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
8.5849 -12.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7973 -11.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0097 -12.6700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3724 -10.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3724 -13.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0
2 3 1 0 0 0
3 4 1 0 0 0
4 5 1 0 0 0
2 6 1 0 0 0
2 7 1 0 0 0
M CHG 1 2 1
S SKP 7
CAS_RN 62-49-7
NAME Choline
ID PR100404
FORMULA C5H14NO
EXACTMASS 104.10753907499999
AVERAGEMASS 104.1708
SMILES OCC[N+1](C)(C)C
M END
