4-Pyridoxic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

Outputs for 4-Pyridoxic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003836
Synonyms: 4-Pyridoxate, 4-Pyridoxic acid
Total mass: 183.161
Formula: H9 C8 O4 N1

Structure file (with ALATIS unique atom labels)

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: 55.0, 56.3, 57.1, 58.4, 65.9, 67.2, 68.9, 73.1, 76.6, 77.1, 79.2, 81.2, 82.1, 84.1, 90.8, 93.0, 94.1, 96.0, 96.8, 102.9, 104.0, 105.9, 107.1, 109.2, 111.1, 121.3, 122.2, 137.3, 138.0, 148.3,
Processing time: 0:00:02.827544
Queried mass list: ['41.100', '45.200', '51.100', '53.200', '55.400', '58.100', '62.900', '65.200', '68.000', '71.700', '75.200', '77.800', '80.100', '83.100', '89.900', '92.300', '95.100', '102.200', '105.200', '107.900', '110.100', '112.300', '120.300', '130.200', '133.100', '136.100', '146.900', '166.400']

Queried mass	Num. matched formulas	Num. matched fragments
41.1 (link to fragments)	2	6
45.2 (link to fragments)	1	1
51.1 (link to fragments)	3	20
53.2 (link to fragments)	3	13
55.4 (link to fragments)	3	5
58.1 (link to fragments)	2	10
62.9 (link to fragments)	3	36
65.2 (link to fragments)	3	25
68.0 (link to fragments)	4	18
71.7 (link to fragments)	3	6
75.2 (link to fragments)	3	37
77.8 (link to fragments)	3	41
80.1 (link to fragments)	4	36
83.1 (link to fragments)	3	9
89.9 (link to fragments)	3	13
92.3 (link to fragments)	4	22
95.1 (link to fragments)	5	20
102.2	No match found!	No match found!
105.2	No match found!	No match found!
107.9 (link to fragments)	1	2
110.1 (link to fragments)	1	2
112.3 (link to fragments)	1	2
120.3 (link to fragments)	2	3
130.2 (link to fragments)	2	2
133.1 (link to fragments)	2	2
136.1 (link to fragments)	3	3
146.9 (link to fragments)	2	3
166.4 (link to fragments)	3	7