MassBank Record: MSBNK-Kazusa-KZ000070
ACCESSION: MSBNK-Kazusa-KZ000070
RECORD_TITLE: Pyridoxine; GC-EI-TOF; MS; 3 TMS; BP:147
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01652_P000048
CH$NAME: Pyridoxine
CH$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: KEGG
C00314
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 1985.6
AC$CHROMATOGRAPHY: RETENTION_TIME 883.862 sec
MS$FOCUSED_ION: BASE_PEAK 147
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-000t-0940000000-30b4702623a6d8fcb4bb
PK$NUM_PEAK: 212
PK$PEAK: m/z int. rel.int.
82 6 6
83 48 48
84 19 19
85 28 28
86 9 9
87 20 20
88 7 7
89 35 35
90 12 12
91 61 61
92 21 21
93 22 22
94 14 14
95 24 24
96 10 10
97 30 30
98 14 14
99 17 17
100 9 9
101 11 11
102 10 10
103 75 75
104 30 30
105 56 56
106 208 208
107 36 36
108 11 11
109 23 23
110 11 11
111 23 23
112 5 5
113 11 11
114 5 5
115 39 39
116 17 17
117 59 59
118 37 37
119 48 48
120 37 37
121 21 21
122 18 18
123 18 18
124 8 8
125 10 10
126 3 3
127 4 4
128 3 3
129 6 6
130 26 26
131 118 118
132 51 51
133 264 264
134 119 119
135 50 50
136 26 26
137 15 15
138 9 9
139 11 11
140 2 2
141 3 3
142 1 1
143 11 11
144 8 8
145 10 10
146 18 18
147 999 999
148 219 219
149 131 131
150 53 53
151 26 26
152 12 12
153 6 6
154 2 2
155 3 3
156 2 2
157 8 8
158 5 5
159 3 3
160 9 9
161 7 7
162 31 31
163 18 18
164 65 65
165 31 31
166 29 29
167 13 13
168 5 5
169 3 3
170 2 2
171 2 2
172 4 4
173 2 2
174 9 9
175 8 8
176 39 39
177 21 21
178 68 68
179 51 51
180 59 59
181 31 31
182 10 10
183 4 4
184 3 3
185 1 1
186 2 2
187 1 1
188 8 8
189 7 7
190 53 53
191 29 29
192 129 129
193 42 42
194 56 56
195 22 22
196 11 11
197 3 3
198 2 2
199 1 1
200 1 1
201 1 1
202 2 2
203 3 3
204 20 20
205 26 26
206 140 140
207 95 95
208 115 115
209 31 31
210 12 12
211 4 4
212 2 2
213 1 1
214 1 1
215 1 1
216 1 1
218 3 3
219 2 2
220 17 17
221 41 41
222 160 160
223 40 40
224 20 20
225 6 6
226 2 2
227 1 1
228 1 1
232 2 2
233 1 1
234 4 4
235 3 3
236 9 9
237 5 5
238 15 15
239 7 7
240 5 5
241 2 2
246 1 1
247 1 1
248 4 4
249 3 3
250 29 29
251 14 14
252 92 92
253 40 40
254 23 23
255 7 7
256 2 2
262 1 1
263 1 1
264 14 14
265 14 14
266 20 20
267 10 10
268 5 5
269 2 2
270 1 1
278 1 1
280 324 324
281 127 127
282 56 56
283 15 15
284 4 4
285 1 1
286 1 1
287 1 1
288 1 1
289 1 1
290 1 1
291 1 1
292 1 1
294 7 7
295 85 85
296 35 35
297 19 19
298 6 6
299 2 2
300 1 1
312 1 1
326 5 5
327 10 10
328 5 5
329 2 2
340 1 1
341 1 1
342 1 1
354 2 2
355 1 1
370 68 68
371 29 29
372 13 13
373 3 3
374 1 1
//
system version 2.2.8-SNAPSHOT