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
//