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

Computational Annotation of MS Peaks (CAMP)

Home
Processed databases
Atom-Mass pairs

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

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

Results for the quried mass "85.1"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C4O2	0.019	5	0	C3,C4,C5,C6,O7,O8