ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009420
RECORD_TITLE: ORTHO-VANILLIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ORTHO-VANILLIN
CH$NAME: 2-HYDROXY-3-METHOXYBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₃
CH$EXACT_MASS: 152.04734
CH$SMILES: O=Cc(c1)c(O)c(OC)cc1
CH$IUPAC: InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-5,10H,1H3
CH$LINK: INCHIKEY JJVNINGBHGBWJH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5022011

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0pb9-8900000000-bbe3aaed58f67e9ab3be
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  15 20.19 202
  26 2.25 23
  27 5.61 56
  29 21.5 215
  30 2.09 21
  31 1.73 17
  32 2.99 30
  37 1.99 20
  38 4.28 43
  39 11.16 112
  40 1.2 12
  41 1.56 16
  49 1.78 18
  50 11.13 111
  51 17.27 173
  52 15.65 157
  53 19.21 192
  54 2.4 24
  55 14.68 147
  61 3.24 32
  62 6.5 65
  63 15.81 158
  64 7.21 72
  65 19.18 192
  66 6.64 66
  67 4.41 44
  69 1.09 11
  73 1.05 11
  74 4.15 42
  75 3.85 39
  76 19.69 197
  77 17.81 178
  78 13.06 131
  79 11.17 112
  80 9.66 97
  81 49.88 499
  82 3.31 33
  85 1.13 11
  91 2.57 26
  92 11.05 111
  93 12.82 128
  94 4.29 43
  95 7.42 74
  104 4.15 42
  105 16.77 168
  106 72.13 721
  107 12.64 126
  108 16.33 163
  109 52.18 522
  110 4.76 48
  115 1.31 13
  119 1.56 16
  120 7.68 77
  121 36.35 364
  122 22.11 221
  123 8.91 89
  124 3.61 36
  133 2.93 29
  134 3.27 33
  135 1.24 12
  136 6.41 64
  137 5.79 58
  151 19.73 197
  152 99.99 999
  153 10.23 102
  154 1.26 13
//