Related entries (identical compound): KO000428 KO000429 MT000145 KO000426 KO000427 JP009185

Submission id: MT000145

Outputs for 1-Hexanoic acid; LC-ESI-IT; MS2; m/z: 115.2; [M-H]-

Database: Metabolon Inc.
Entry ID: MT000145
Synonyms: 1-Hexanoic acid, caproate (6:0)
Total mass: 116.1578
Formula: H12 C6 O2

Structure file (with ALATIS unique atom labels)

Experimental information

MS type: MS2
Instrument: LTQ XL, Thermo Finnigan
Instrument type: LC-ESI-IT
Ionization: ESI
Ionization mode: NEGATIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 59.2, 71.7, 72.2, 83.1, 86.2, 88.2, 97.2, 98.1, 101.3, 116.2,
Processing time: 0:00:01.062484
Queried mass list: ['58.100', '71.100', '82.300', '85.100', '87.200', '96.300', '100.400', '115.200']

Queried mass	Num. matched formulas	Num. matched fragments
58.1 (link to fragments)	3	3
71.1 (link to fragments)	2	2
82.3 (link to fragments)	1	1
85.1 (link to fragments)	1	1
87.2 (link to fragments)	2	3
96.3 (link to fragments)	2	3
100.4 (link to fragments)	2	3
115.2 (link to fragments)	1	1