3-(2-Hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

Computational Annotation of MS Peaks (CAMP)

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Submission id: KO001680

Outputs for 3-(2-Hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001680
Synonyms: 3-(2-Hydroxyphenyl)propionate, 3-(2-Hydroxyphenyl)propionic acid, Melilotate, 2-Hydroxyphenylpropanoate, 3-(2-Hydroxyphenyl)propanoate
Total mass: 166.1735
Formula: H10 C9 O3

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: 46.0, 47.2, 61.0, 67.1, 81.0, 97.0, 119.2,
Processing time: 0:00:02.254414

Results for the quried mass "106.1"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C6O2	0.021	2	0	C1,C3,C5,C6,C7,C9,O11,O12
C7O1	0.022	6	0	C1,C2,C3,C4,C5,C7,C8,O10
C5O3	0.064	2	0	C5,C6,C7,C8,C9,O10,O11,O12