4-Pyridoxic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Submission id: KO003837

Outputs for 4-Pyridoxic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003837
Synonyms: 4-Pyridoxate, 4-Pyridoxic acid
Total mass: 183.161
Formula: H9 C8 O4 N1

Experimental information

MS type: MS2
Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 40.9, 45.0, 52.0, 54.0, 55.2, 57.0, 58.0, 66.1, 67.0, 69.2, 77.1, 79.3, 81.0, 92.1, 94.1, 96.1, 103.1, 104.0, 106.2, 107.0, 108.9, 122.2, 148.0,
Processing time: 0:00:02.713476

Results for the quried mass "43.8"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C1O2	0.210	0	0	C8,O12,O13
C2O1	0.252	4	1	C3,C5,O10