Processed databases
Atom-Mass pairs
Outputs for Pimelic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001655
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: 69.0, 96.8,
Processing time: 0:00:01.177907
Results for the quried mass "79.8"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C5O1 | 0.284 | 4 | 0 | C1,C2,C3,C5,C7,O10 |
| C5O1 | 0.284 | 4 | 0 | C1,C2,C3,C5,C7,O11 |
| C5O1 | 0.284 | 4 | 0 | C1,C2,C3,C4,C6,O8 |
| C5O1 | 0.284 | 4 | 0 | C1,C2,C3,C4,C6,O9 |
| C6 | 0.327 | 8 | 0 | C1,C2,C3,C4,C5,C7 |
| C6 | 0.327 | 8 | 0 | C1,C2,C3,C4,C5,C6 |
| C4O2 | 0.242 | 0 | 0 | C1,C2,C4,C6,O8,O9 |
| C4O2 | 0.242 | 0 | 0 | C1,C3,C5,C7,O10,O11 |