Processed databases
Atom-Mass pairs
Related entries (identical compound):
JP002234
MT000008
JP003528
KO001094
KO001092
KO001093
KO001091
KO001095
BML81398
OUF00264
OUF00265
BML01204
BML81395
BML81396
BML81397
Outputs for Hippuric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001093
Synonyms: Hippurate, N-Benzoylglycine, Benzoylaminoacetic acid, Hippuric acid
Total mass: 179.1723
Formula: H9 C9 O3 N1
Structure file (with ALATIS unique atom labels)
Experimental information
MS type: MS2Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: NEGATIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 46.1, 60.2, 61.0, 89.3, 104.1, 117.3, 120.1, 132.0, 134.4,
Processing time: 0:00:02.541485
Queried mass list: ['26.000', '42.000', '45.000', '56.000', '59.100', '62.100', '73.800', '77.200', '85.500', '88.200', '102.300', '105.000', '107.100', '116.100', '118.500', '131.300', '134.000', '142.700', '144.900', '159.800', '178.200']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 26.0 (link to fragments) | 3 | 13 |
| 42.0 (link to fragments) | 4 | 7 |
| 45.0 (link to fragments) | 3 | 3 |
| 56.0 (link to fragments) | 3 | 7 |
| 59.1 (link to fragments) | 2 | 11 |
| 62.1 (link to fragments) | 3 | 19 |
| 73.8 (link to fragments) | 3 | 16 |
| 77.2 (link to fragments) | 4 | 26 |
| 85.5 (link to fragments) | 3 | 16 |
| 88.2 (link to fragments) | 4 | 28 |
| 102.3 (link to fragments) | 2 | 2 |
| 105.0 (link to fragments) | 1 | 1 |
| 107.1 (link to fragments) | 1 | 1 |
| 116.1 (link to fragments) | 1 | 1 |
| 118.5 (link to fragments) | 1 | 1 |
| 131.3 (link to fragments) | 1 | 1 |
| 134.0 (link to fragments) | 2 | 4 |
| 142.7 | No match found! | No match found! |
| 144.9 (link to fragments) | 1 | 4 |
| 159.8 (link to fragments) | 2 | 8 |
| 178.2 (link to fragments) | 1 | 1 |