ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006258
RECORD_TITLE: PYRIDOXINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: PYRIDOXINE
CH$NAME: VITAMIN B6
CH$COMPOUND_CLASS: N/A
CH$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 58-56-0
CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4023541

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0f6x-9400000000-486db54a30b61c2eb9d4
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
  15 2.82 28
  26 3.59 36
  27 13.83 138
  28 20.59 206
  29 10.24 102
  30 1.2 12
  31 14.79 148
  32 4.31 43
  37 1.39 14
  38 5.15 52
  39 31.7 317
  40 5.07 51
  41 8.9 89
  42 21.19 212
  43 7.57 76
  44 0.89 9
  50 7.28 73
  51 19.99 200
  52 13.53 135
  53 22.47 225
  54 17.63 176
  55 7.76 78
  56 0.59 6
  57 1.01 10
  58 0.56 6
  61 0.97 10
  62 1.63 16
  63 4.22 42
  64 3.87 39
  65 8.02 80
  66 6.89 69
  67 9.47 95
  68 3.8 38
  69 2.07 21
  70 0.93 9
  74 0.94 9
  75 0.93 9
  76 1.15 12
  77 4.81 48
  78 3.53 35
  79 4.99 50
  80 14.11 141
  81 18.68 187
  82 14.84 148
  83 1.56 16
  91 2.39 24
  92 5.1 51
  93 5.12 51
  94 99.99 999
  95 11.39 114
  96 1.2 12
  104 1.29 13
  105 3.98 40
  106 47.78 478
  107 10.65 107
  108 7.06 71
  109 1.75 18
  110 2.03 20
  120 4.65 47
  121 1.89 19
  122 24.14 241
  123 9.04 90
  124 1.65 17
  133 5.01 50
  134 2.21 22
  135 0.77 8
  136 9.76 98
  137 1.19 12
  138 2.09 21
  149 0.75 8
  150 7.5 75
  151 45.73 457
  152 4.63 46
  153 1.28 13
  169 42.64 426
  170 4.62 46
  171 0.62 6
//