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

Submission id: KO003834

Outputs for 4-Pyridoxic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003834
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: 83.0, 85.0, 92.3, 94.9, 103.7, 105.8, 106.7, 110.1, 111.0, 120.8, 123.4, 124.0, 136.0, 149.1, 166.3, 184.2,
Processing time: 0:00:03.084151
Queried mass list: ['44.700', '68.800', '70.900', '73.100', '76.100', '78.200', '81.000', '83.400', '88.900', '91.200', '93.300', '97.100', '102.200', '105.200', '109.000', '113.300', '117.100', '119.900', '122.200', '131.100', '135.200', '138.100', '148.300', '151.300', '164.800', '167.200', '183.100']

Queried mass	Num. matched formulas	Num. matched fragments
44.7 (link to fragments)	2	2
68.8 (link to fragments)	3	14
70.9 (link to fragments)	3	11
73.1 (link to fragments)	2	19
76.1 (link to fragments)	4	49
78.2 (link to fragments)	4	50
81.0 (link to fragments)	3	34
83.4 (link to fragments)	4	10
88.9 (link to fragments)	4	27
91.2 (link to fragments)	4	34
93.3 (link to fragments)	4	28
97.1 (link to fragments)	5	15
102.2	No match found!	No match found!
105.2	No match found!	No match found!
109.0 (link to fragments)	1	2
113.3 (link to fragments)	1	2
117.1 (link to fragments)	1	1
119.9 (link to fragments)	1	1
122.2 (link to fragments)	3	4
131.1 (link to fragments)	2	2
135.2 (link to fragments)	3	3
138.1 (link to fragments)	3	3
148.3 (link to fragments)	3	4
151.3 (link to fragments)	3	4
164.8 (link to fragments)	3	7
167.2 (link to fragments)	3	7
183.1 (link to fragments)	1	1