Related entries (identical compound): PR100418 PR100419 MT000123 PR100876 KO003836 KO003837 KO003834 KO003835 KO003833

Submission id: KO003833

Outputs for 4-Pyridoxic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003833
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: 201.8,212.9,
Replicated queried mass peaks: 76.0, 84.1, 94.2, 105.9, 107.1, 110.2, 116.9, 121.3, 122.3, 124.3, 131.0, 135.3, 138.2, 149.3, 167.3,
Processing time: 0:00:03.059479
Queried mass list: ['45.700', '49.800', '70.800', '74.000', '78.000', '80.100', '82.900', '87.800', '92.700', '95.200', '97.900', '102.200', '105.100', '109.400', '113.000', '116.200', '120.500', '123.400', '130.300', '133.800', '137.000', '139.200', '148.100', '152.300', '166.300', '184.200']

Queried mass	Num. matched formulas	Num. matched fragments
45.7 (link to fragments)	1	1
49.8 (link to fragments)	2	14
70.8 (link to fragments)	3	11
74.0 (link to fragments)	2	19
78.0 (link to fragments)	3	43
80.1 (link to fragments)	4	38
82.9 (link to fragments)	4	14
87.8 (link to fragments)	4	22
92.7 (link to fragments)	4	33
95.2 (link to fragments)	5	21
97.9 (link to fragments)	5	15
102.2	No match found!	No match found!
105.1	No match found!	No match found!
109.4 (link to fragments)	1	2
113.0 (link to fragments)	1	2
116.2 (link to fragments)	1	1
120.5 (link to fragments)	2	3
123.4 (link to fragments)	3	4
130.3 (link to fragments)	2	2
133.8 (link to fragments)	2	2
137.0 (link to fragments)	3	3
139.2 (link to fragments)	3	3
148.1 (link to fragments)	3	4
152.3 (link to fragments)	3	4
166.3 (link to fragments)	3	7
184.2 (link to fragments)	1	1