4-Pyridoxic acid; LC-ESI-IT; MS2; m/z: 182.1; [M-H]-

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: MT000123

Outputs for 4-Pyridoxic acid; LC-ESI-IT; MS2; m/z: 182.1; [M-H]-

Database: Metabolon Inc.
Entry ID: MT000123
Synonyms: 4-Pyridoxic acid, pyridoxate
Total mass: 183.161
Formula: H9 C8 O4 N1

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: 138.1, 139.1,
Processing time: 0:00:01.153380

Results for the quried mass "137.2"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C7O2N1	0.064	7	0	C1,C2,C3,C4,C5,C6,C7,N9,O10,O11
C6O3N1	0.107	3	0	C1,C2,C4,C6,C7,C8,N9,O11,O12,O13
C6O4	0.130	1	0	C2,C3,C5,C6,C7,C8,O10,O11,O12,O13