ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009387
RECORD_TITLE: 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$NAME: VANILLIN
CH$NAME: 4-HYDROXY-3-METHOXYBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₃
CH$EXACT_MASS: 152.04734
CH$SMILES: O=Cc(c1)cc(OC)c(O)c1
CH$IUPAC: InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
CH$LINK: INCHIKEY MWOOGOJBHIARFG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021969

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$SPLASH: splash10-0udi-9800000000-d8f749f48a78e7c9c3bf
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  15 11.57 116
  26 3.45 35
  27 11.95 120
  29 19.6 196
  31 2.39 24
  37 3.51 35
  38 6.53 65
  39 13.32 133
  41 4.32 43
  49 2.2 22
  50 12.44 124
  51 21.29 213
  52 21.41 214
  53 14.26 143
  54 1.7 17
  55 5.91 59
  61 2.73 27
  62 6.02 60
  63 10.23 102
  64 2.49 25
  65 11.25 113
  66 2.11 21
  67 3.88 39
  74 1.55 16
  75 1.2 12
  77 5.79 58
  79 7.52 75
  80 5.83 58
  81 39.21 392
  82 2.2 22
  91 1.49 15
  92 2.02 20
  93 2.36 24
  95 2.97 30
  108 7.96 80
  109 23.2 232
  110 1.63 16
  121 1.03 10
  123 12.89 129
  124 2.19 22
  136 1.93 19
  137 6.41 64
  151 87.18 872
  152 99.99 999
  153 9.73 97
  154 1 10
//