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Processed databases
Atom-Mass pairs
Related entries (identical compound): PR100196 PR100602 KO001639 KO001640 KO003753 KO003757 KO003756 KO003755 KO003754 KO001638 KO001636 KO001637 JP006258 OUF00436 KZ000070 PR010229
Submission id: KO003756

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


Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003756
Synonyms: Pyridoxine, Pyridoxol
Total mass: 169.1774
Formula: H11 C8 O3 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, 43.2, 54.2, 56.0, 66.0, 66.9, 69.1, 78.0, 80.0, 81.1, 83.0, 90.1, 92.2, 93.1, 95.2, 96.1, 105.2, 107.0, 109.3, 119.9, 122.3, 123.2, 125.9, 134.1, 136.0,
Processing time: 0:00:02.594531
Queried mass list: ['39.000', '42.000', '45.100', '53.200', '55.300', '64.900', '67.800', '70.200', '76.900', '79.200', '82.300', '85.900', '89.000', '91.200', '94.100', '97.300', '104.000', '106.100', '108.200', '115.900', '118.900', '121.200', '124.100', '132.100', '135.000', '137.300', '149.900', '152.200']



Queried massNum. matched formulasNum. matched fragments
39.0 (link to fragments) 3 14
42.0 (link to fragments) 2 5
45.1 No match found! No match found!
53.2 (link to fragments) 4 11
55.3 (link to fragments) 2 7
64.9 (link to fragments) 4 32
67.8 (link to fragments) 4 18
70.2 (link to fragments) 4 9
76.9 (link to fragments) 4 34
79.2 (link to fragments) 4 21
82.3 (link to fragments) 4 9
85.9 (link to fragments) 2 6
89.0 (link to fragments) 1 1
91.2 (link to fragments) 2 3
94.1 (link to fragments) 2 3
97.3 (link to fragments) 2 3
104.0 No match found! No match found!
106.1 (link to fragments) 2 3
108.2 (link to fragments) 2 3
115.9 (link to fragments) 1 1
118.9 (link to fragments) 2 3
121.2 (link to fragments) 2 3
124.1 (link to fragments) 2 3
132.1 (link to fragments) 3 5
135.0 (link to fragments) 3 5
137.3 (link to fragments) 3 5
149.9 (link to fragments) 3 6
152.2 (link to fragments) 3 6


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