4-Pyridoxic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Submission id: KO003835

Outputs for 4-Pyridoxic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003835
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: 67.2, 69.1, 70.0, 73.1, 74.7, 78.9, 80.2, 81.2, 83.1, 83.9, 91.1, 93.1, 95.0, 97.0, 104.0, 105.8, 107.0, 109.3, 111.5, 120.1, 121.2, 122.9, 123.5, 137.4, 139.3, 148.9, 166.1,
Processing time: 0:00:03.080427

Results for the quried mass "153.8"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C7O3N1	0.343	8	2	C1,C2,C4,C5,C6,C7,C8,N9,O11,O12,O13
C7O3N1	0.343	8	0	C1,C2,C3,C4,C5,C6,C8,N9,O10,O12,O13
C6O4N1	0.300	4	0	C2,C3,C5,C6,C7,C8,N9,O10,O11,O12,O13
C7O4	0.320	6	0	C1,C3,C4,C5,C6,C7,C8,O10,O11,O12,O13