Processed databases
Atom-Mass pairs
Outputs for 3-(2-Hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001676
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: 185.0,
Replicated queried mass peaks: 59.7, 77.0, 89.3, 91.6, 100.0, 100.9, 105.0, 106.4, 116.8, 121.1, 129.1, 133.0, 138.3, 147.1, 165.2,
Processing time: 0:00:02.761890
Results for the quried mass "111.3"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C6O2 | 0.182 | 7 | 0 | C1,C3,C5,C6,C7,C9,O11,O12 |
| C8O1 | 0.223 | 1 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,O10 |
| C5O3 | 0.225 | 3 | 0 | C5,C6,C7,C8,C9,O10,O11,O12 |