3-Phenylpropionic acid; LC-ESI-IT; MS2; m/z: 149.1; [M-H]-

Computational Annotation of MS Peaks (CAMP)

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Submission id: MT000037

Outputs for 3-Phenylpropionic acid; LC-ESI-IT; MS2; m/z: 149.1; [M-H]-

Database: Metabolon Inc.
Entry ID: MT000037
Synonyms: 3-Phenylpropionic acid, 3-phenylpropionate
Total mass: 150.1741
Formula: H10 C9 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: 106.2, 117.1, 131.1, 132.1, 135.0, 149.1, 150.1,
Processing time: 0:00:00.774987

Results for the quried mass "105.2"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C6O2	0.129	1	0	C3,C5,C6,C7,C8,C9,O10,O11
C6O2	0.129	1	0	C2,C4,C6,C7,C8,C9,O10,O11
C6O2	0.129	1	0	C4,C5,C6,C7,C8,C9,O10,O11
C8	0.043	9	0	C1,C2,C3,C4,C5,C6,C7,C8