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

Computational Annotation of MS Peaks (CAMP)

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Submission id: KO001653

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

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO001653
Synonyms: Pimelate, Heptanedioic acid, 6-Carboxyhexanoate, Pimelic acid
Total mass: 160.1673
Formula: H12 C7 O4

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: 55.3, 95.1, 115.1, 122.9,
Processing time: 0:00:02.245980

Results for the quried mass "113.1"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C6O2	0.034	9	0	C1,C2,C3,C4,C5,C7,O10,O11
C6O2	0.034	9	0	C1,C2,C3,C4,C5,C6,O8,O9