Processed databases
Atom-Mass pairs
Outputs for Hippuric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001094
Synonyms: Hippurate, N-Benzoylglycine, Benzoylaminoacetic acid, Hippuric acid
Total mass: 179.1723
Formula: H9 C9 O3 N1
Experimental information
MS type: MS2
Instrument: 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: 46.3, 60.2, 104.1, 117.9,
Processing time: 0:00:01.915823
Results for the quried mass "77.2"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C4O1N1 | 0.159 | 1 | 0 | C2,C4,C7,C9,N10,O13 |
| C4O1N1 | 0.159 | 1 | 0 | C3,C5,C7,C9,N10,O13 |
| C4O1N1 | 0.159 | 1 | 0 | C4,C6,C7,C9,N10,O13 |
| C4O1N1 | 0.159 | 1 | 0 | C5,C6,C7,C9,N10,O13 |
| C4O1N1 | 0.159 | 1 | 0 | C6,C7,C8,C9,N10,O11 |
| C4O1N1 | 0.159 | 1 | 0 | C6,C7,C8,C9,N10,O12 |
| C4O1N1 | 0.159 | 1 | 0 | C6,C7,C8,C9,N10,O13 |
| C5N1 | 0.116 | 3 | 0 | C1,C2,C4,C7,C9,N10 |
| C5N1 | 0.116 | 3 | 0 | C1,C3,C5,C7,C9,N10 |
| C5N1 | 0.116 | 3 | 0 | C2,C4,C6,C7,C9,N10 |
| C5N1 | 0.116 | 3 | 0 | C2,C4,C5,C7,C9,N10 |
| C5N1 | 0.116 | 3 | 0 | C3,C5,C6,C7,C9,N10 |
| C5N1 | 0.116 | 3 | 0 | C3,C4,C5,C7,C9,N10 |
| C5N1 | 0.116 | 3 | 0 | C4,C6,C7,C8,C9,N10 |
| C5N1 | 0.116 | 3 | 0 | C4,C5,C6,C7,C9,N10 |
| C5N1 | 0.116 | 3 | 0 | C5,C6,C7,C8,C9,N10 |
| C5O1 | 0.139 | 1 | 0 | C1,C2,C4,C7,C9,O13 |
| C5O1 | 0.139 | 1 | 0 | C1,C3,C5,C7,C9,O13 |
| C5O1 | 0.139 | 1 | 0 | C2,C4,C5,C7,C9,O13 |
| C5O1 | 0.139 | 1 | 0 | C3,C4,C5,C7,C9,O13 |
| C6 | 0.096 | 5 | 0 | C1,C2,C3,C4,C5,C7 |
| C6 | 0.096 | 5 | 1 | C1,C2,C3,C5,C7,C9 |
| C6 | 0.096 | 5 | 1 | C1,C2,C4,C5,C7,C9 |
| C6 | 0.096 | 5 | 1 | C1,C2,C3,C4,C7,C9 |
| C6 | 0.096 | 5 | 1 | C1,C3,C4,C5,C7,C9 |
| C6 | 0.096 | 5 | 1 | C2,C3,C4,C5,C7,C9 |