MassBank Record: MSBNK-RIKEN-PR010229
ACCESSION: MSBNK-RIKEN-PR010229
RECORD_TITLE: Pyridoxine; GC-EI-TOF; MS; 3 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
CH$NAME: Pyridoxine
CH$NAME: Pyridoxol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C8H11NO3
CH$EXACT_MASS: 169.07389
CH$SMILES: OCc(c1)c(CO)c(O)c(C)n1
CH$IUPAC: InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
CH$LINK: CAS
65-23-6
CH$LINK: CHEBI
16709
CH$LINK: KEGG
C00314
CH$LINK: NIKKAJI
J2.356F
CH$LINK: PUBCHEM 3608
CH$LINK: INCHIKEY
LXNHXLLTXMVWPM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4023541
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: RETENTION_INDEX 1889.7
AC$CHROMATOGRAPHY: RETENTION_TIME 493.177 sec
MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C17H35NO3Si3
MS$FOCUSED_ION: DERIVATIVE_MASS 385.19247
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9330000000-32929ff06762b9f5887f
PK$NUM_PEAK: 152
PK$PEAK: m/z int. rel.int.
60 6 6
61 13 13
62 2 2
63 6 6
64 2 2
65 16 16
66 8 8
67 4 4
69 1 1
70 5 5
71 5 5
72 13 13
73 999 999
74 89 89
75 94 94
76 9 9
77 30 30
78 9 9
79 26 26
80 4 4
81 2 2
82 1 1
83 8 8
84 3 3
85 4 4
86 1 1
87 3 3
88 1 1
89 5 5
90 2 2
91 10 10
92 3 3
93 3 3
94 2 2
95 3 3
96 1 1
97 4 4
98 2 2
99 2 2
100 1 1
101 1 1
102 1 1
103 11 11
104 5 5
105 8 8
106 33 33
107 5 5
108 1 1
109 3 3
110 1 1
111 3 3
113 1 1
115 6 6
116 2 2
117 8 8
118 5 5
119 6 6
120 6 6
121 3 3
122 2 2
123 3 3
124 1 1
125 1 1
130 4 4
131 18 18
132 6 6
133 37 37
134 17 17
135 7 7
136 4 4
137 2 2
138 1 1
139 1 1
143 1 1
144 1 1
145 1 1
146 2 2
147 108 108
148 22 22
149 13 13
150 6 6
151 3 3
152 1 1
157 1 1
160 1 1
161 1 1
162 4 4
163 2 2
164 9 9
165 4 4
166 4 4
167 1 1
174 1 1
175 1 1
176 5 5
177 2 2
178 8 8
179 6 6
180 7 7
181 4 4
182 1 1
188 1 1
189 1 1
190 6 6
191 3 3
192 17 17
193 5 5
194 7 7
195 2 2
196 1 1
204 2 2
205 2 2
206 15 15
207 12 12
208 13 13
209 3 3
210 1 1
220 2 2
221 4 4
222 20 20
223 4 4
224 2 2
236 1 1
238 2 2
239 1 1
240 1 1
250 4 4
251 1 1
252 14 14
253 5 5
254 3 3
264 3 3
265 3 3
266 4 4
267 2 2
268 1 1
278 1 1
279 4 4
280 249 249
281 69 69
282 32 32
283 6 6
284 1 1
294 3 3
295 75 75
296 22 22
297 11 11
298 2 2
327 1 1
370 7 7
371 2 2
372 1 1
//
system version 2.2.8-SNAPSHOT