Processed databases
Atom-Mass pairs
Outputs for 3-(2-Hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001680
Synonyms: 3-(2-Hydroxyphenyl)propionate, 3-(2-Hydroxyphenyl)propionic acid, Melilotate, 2-Hydroxyphenylpropanoate, 3-(2-Hydroxyphenyl)propanoate
Total mass: 166.1735
Formula: H10 C9 O3
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: 46.0, 47.2, 61.0, 67.1, 81.0, 97.0, 119.2,
Processing time: 0:00:02.254414
Results for the quried mass "121.2"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C6O3 | 0.130 | 1 | 0 | C3,C5,C6,C7,C8,C9,O10,O11,O12 |
| C6O3 | 0.130 | 1 | 0 | C4,C5,C6,C7,C8,C9,O10,O11,O12 |
| C8O1 | 0.044 | 9 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,O10 |
| C7O2 | 0.087 | 5 | 0 | C1,C2,C3,C5,C6,C7,C9,O11,O12 |