1-Hexanoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

Computational Annotation of MS Peaks (CAMP)

Home
Processed databases
Atom-Mass pairs

Submission id: KO000428

Outputs for 1-Hexanoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO000428
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: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 96.8,
Processing time: 0:00:01.503223

Results for the quried mass "95.0"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C6O1	0.119	7	0	C1,C2,C3,C4,C5,C6,O8
C6O1	0.119	7	0	C1,C2,C3,C4,C5,C6,O7
C5O2	0.076	3	0	C2,C3,C4,C5,C6,O7,O8