Processed databases
Atom-Mass pairs
Outputs for Gallic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO000891
Synonyms: Gallate, Pyrogallol-5-carboxylic acid, 3,4,5-Trihydroxybenzoate, 3,4,5-Trihydroxybenzoic acid, Gallic acid
Total mass: 170.1193
Formula: H6 C7 O5
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: 42.9, 54.8, 80.1, 81.0, 108.0, 124.0, 125.1,
Processing time: 0:00:01.931607
Results for the quried mass "123.2"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O4 | 0.157 | 1 | 0 | C2,C3,C5,C6,C7,O9,O10,O11,O12 |
| C5O4 | 0.157 | 1 | 0 | C1,C3,C4,C6,C7,O8,O10,O11,O12 |
| C6O3 | 0.114 | 3 | 0 | C1,C2,C3,C4,C5,C6,O8,O9,O10 |