Phenylacetic acid; LC-ESI-IT; MS2; m/z: 135.1; [M-H]-

Computational Annotation of MS Peaks (CAMP)

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Submission id: MT000056

Outputs for Phenylacetic acid; LC-ESI-IT; MS2; m/z: 135.1; [M-H]-

Database: Metabolon Inc.
Entry ID: MT000056
Synonyms: Phenylacetic acid, phenylacetate
Total mass: 136.1476
Formula: H8 C8 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: 91.9,
Processing time: 0:00:00.802457

Results for the quried mass "91.1"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C7	0.030	7	0	C1,C2,C3,C4,C5,C6,C7
C5O2	0.056	1	0	C3,C5,C6,C7,C8,O9,O10
C5O2	0.056	1	0	C2,C4,C6,C7,C8,O9,O10
C5O2	0.056	1	0	C4,C5,C6,C7,C8,O9,O10