Processed databases
Atom-Mass pairs
Outputs for Dihydrocaffeic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO000585
Synonyms: Dihydrocaffeate, Dihydrocaffeic acid, 3,4-Dihydroxyphenylpropionic acid, Dihydrocaffeic acid
Total mass: 182.1729
Formula: H10 C9 O4
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: 59.0, 91.1, 94.4, 100.9, 118.9, 122.3, 138.7,
Processing time: 0:00:02.744645
Results for the quried mass "135.0"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C7O3 | 0.097 | 3 | 0 | C1,C2,C4,C5,C6,C8,C9,O11,O12,O13 |
| C7O3 | 0.097 | 3 | 0 | C1,C2,C3,C4,C6,C7,C9,O10,O12,O13 |
| C8O2 | 0.140 | 7 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,O10,O11 |