Mol:PR100411
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | ISISHOST03240423072D 1 1.00000 0.00000 2575 | + | ISISHOST03240423072D 1 1.00000 0.00000 2575 |
| − | + | ||
| − | 10 10 0 0 0 999 V2000 | + | 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 0.2931 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 | + | 0.2207 -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 | + | -0.5034 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 | + | 0.9310 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 | + | -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 | + | -1.2207 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 | + | 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 | + | 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 | + | -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 | + | -0.5034 -1.7828 0.0000 C 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 |
| − | 4 7 1 0 0 0 | + | 4 7 1 0 0 0 |
| − | 4 8 2 0 0 0 | + | 4 8 2 0 0 0 |
| − | 5 9 2 0 0 0 | + | 5 9 2 0 0 0 |
| − | 5 10 1 0 0 0 | + | 5 10 1 0 0 0 |
| − | 6 9 1 0 0 0 | + | 6 9 1 0 0 0 |
| − | M CHG 1 5 1 | + | M CHG 1 5 1 |
| − | S SKP | + | S SKP 7 |
| − | CAS_RN 3106-60-3 | + | CAS_RN 3106-60-3 |
| − | NAME 1-Methylnicotinamide | + | 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 | M END | ||
Latest revision as of 16:44, 14 January 2011
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
