Pentanoic acid; LC-ESI-IT; MS2; m/z: 101.2; [M-H]-

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: MT000004

Outputs for Pentanoic acid; LC-ESI-IT; MS2; m/z: 101.2; [M-H]-

Database: Metabolon Inc.
Entry ID: MT000004
Synonyms: Pentanoic acid, valeric acid
Total mass: 102.1313
Formula: H10 C5 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: 75.1, 83.2, 102.1,
Processing time: 0:00:00.772820

Results for the quried mass "57.1"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C2O2	0.072	1	0	C4,C5,O6,O7
C4	0.014	9	0	C1,C2,C3,C4