Processed databases
Atom-Mass pairs
Outputs for 1-Hexanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO000427
Synonyms: Hexanoate, n-Caproic acid, Hexylic acid, Hexanoic acid, 1-Hexanoic acid
Total mass: 116.1578
Formula: H12 C6 O2
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: 71.0,
Processing time: 0:00:01.124576
Results for the quried mass "43.0"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C3 | 0.087 | 7 | 1 | C2,C3,C4 |
| C3 | 0.087 | 7 | 0 | C1,C2,C3 |
| C3 | 0.087 | 7 | 1 | C3,C4,C5 |
| C1O2 | 0.002 | 1 | 0 | C6,O7,O8 |
| C2O1 | 0.045 | 3 | 1 | C5,C6,O7 |
| C2O1 | 0.045 | 3 | 0 | C5,C6,O8 |