Processed databases
Atom-Mass pairs
Outputs for Pimelic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001652
Synonyms: Pimelate, Heptanedioic acid, 6-Carboxyhexanoate, Pimelic acid
Total mass: 160.1673
Formula: H12 C7 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: 97.0, 116.4,
Processing time: 0:00:01.853899
Results for the quried mass "85.3"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C7 | 0.217 | 1 | 0 | C1,C2,C3,C4,C5,C6,C7 |
| C5O1 | 0.176 | 9 | 1 | C1,C2,C3,C5,C7,O10 |
| C5O1 | 0.176 | 9 | 0 | C1,C2,C3,C5,C7,O11 |
| C5O1 | 0.176 | 9 | 1 | C1,C2,C3,C4,C6,O8 |
| C5O1 | 0.176 | 9 | 0 | C1,C2,C3,C4,C6,O9 |
| C4O2 | 0.219 | 5 | 0 | C1,C3,C5,C7,O10,O11 |
| C4O2 | 0.219 | 5 | 0 | C1,C2,C4,C6,O8,O9 |