Processed databases
Atom-Mass pairs
Outputs for 3-(2-Hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001677
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: 47.0, 60.3, 61.1, 73.0, 89.6, 100.1, 100.8, 104.8, 106.1, 119.1, 122.0, 145.4, 148.9, 150.5, 164.1,
Processing time: 0:00:03.178387
Results for the quried mass "118.5"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C6O3 | 0.453 | 2 | 0 | C3,C5,C6,C7,C8,C9,O10,O11,O12 |
| C6O3 | 0.453 | 2 | 0 | C4,C5,C6,C7,C8,C9,O10,O11,O12 |
| C8O1 | 0.368 | 6 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,O10 |
| C7O2 | 0.411 | 2 | 0 | C1,C2,C3,C5,C6,C7,C9,O11,O12 |