ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008443
RECORD_TITLE: 4-HYDROXY-3-METHOXYBENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 4-HYDROXY-3-METHOXYBENZALDEHYDE
CH$NAME: VANILLIN
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0udi-7900000000-ee0a0ad1232fa889e567
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  15 4.89 49
  17 1.17 12
  26 2.78 28
  27 7.29 73
  29 9.75 98
  31 2.11 21
  37 3.02 30
  38 5.41 54
  39 11.02 110
  41 3.09 31
  42 1.83 18
  43 1.16 12
  45 1.26 13
  49 2.09 21
  50 9.69 97
  51 16.86 169
  52 18.47 185
  53 16.77 168
  54 2.29 23
  55 4.62 46
  61 2.57 26
  62 5.51 55
  63 9.26 93
  64 2.84 28
  65 9.9 99
  66 2.19 22
  67 3.54 35
  69 1.96 20
  75 1.04 10
  77 6.05 61
  78 1.33 13
  79 8.16 82
  80 5.85 59
  81 37.44 374
  82 2.43 24
  91 2.09 21
  92 2.22 22
  93 2.45 25
  95 3.21 32
  107 1.22 12
  108 8.13 81
  109 22.03 220
  110 1.99 20
  119 1.12 11
  121 1.48 15
  123 12.48 125
  124 2.28 23
  136 2.48 25
  137 6.87 69
  151 99.99 999
  152 99.16 992
  153 8.02 80
//