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
//