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

Submission id: KO003837

Outputs for 4-Pyridoxic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003837
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: 40.9, 45.0, 52.0, 54.0, 55.2, 57.0, 58.0, 66.1, 67.0, 69.2, 77.1, 79.3, 81.0, 92.1, 94.1, 96.1, 103.1, 104.0, 106.2, 107.0, 108.9, 122.2, 148.0,
Processing time: 0:00:02.713476
Queried mass list: ['39.100', '43.800', '51.000', '53.200', '56.000', '63.100', '65.200', '68.000', '75.200', '77.900', '80.000', '82.100', '84.200', '90.900', '93.000', '95.400', '102.100', '105.000', '108.000', '110.200', '120.400', '130.200', '136.200', '138.300', '146.300', '166.600']

Queried mass	Num. matched formulas	Num. matched fragments
39.1 (link to fragments)	3	12
43.8 (link to fragments)	2	2
51.0 (link to fragments)	3	21
53.2 (link to fragments)	3	12
56.0 (link to fragments)	3	5
63.1 (link to fragments)	3	34
65.2 (link to fragments)	3	25
68.0 (link to fragments)	4	18
75.2 (link to fragments)	3	40
77.9 (link to fragments)	3	42
80.0 (link to fragments)	4	41
82.1 (link to fragments)	5	20
84.2 (link to fragments)	4	12
90.9 (link to fragments)	4	25
93.0 (link to fragments)	4	22
95.4 (link to fragments)	5	20
102.1 (link to fragments)	3	21
105.0	No match found!	No match found!
108.0 (link to fragments)	1	2
110.2 (link to fragments)	1	2
120.4 (link to fragments)	2	3
130.2 (link to fragments)	2	2
136.2 (link to fragments)	3	3
138.3 (link to fragments)	3	3
146.3 (link to fragments)	2	3
166.6 (link to fragments)	3	7