ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008445
RECORD_TITLE: 3-HYDROXY-4-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$NAME: 3-HYDROXY-4-METHOXYBENZALDEHYDE
CH$NAME: ISOVANILLIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₃
CH$EXACT_MASS: 152.04734
CH$SMILES: O=Cc(c1)cc(O)c(OC)c1
CH$IUPAC: InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3
CH$LINK: INCHIKEY JVTZFYYHCGSXJV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7049423

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$SPLASH: splash10-0udi-6900000000-42458bd49931f933ff18
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  14 1.08 11
  15 2.4 24
  16 1.49 15
  27 6.88 69
  29 6.86 69
  32 3.4 34
  38 4.21 42
  39 8.4 84
  41 4.14 41
  50 7.78 78
  51 14.66 147
  52 13.6 136
  53 13.57 136
  55 4.62 46
  61 1.15 12
  62 4.46 45
  63 8.05 81
  65 8.14 81
  67 2.78 28
  69 1.14 11
  77 5.52 55
  79 7.85 79
  80 5.17 52
  81 27.54 275
  93 1.07 11
  95 2.09 21
  108 8.21 82
  109 18.29 183
  123 11.57 116
  136 1.25 13
  137 5.02 50
  151 99.29 993
  152 99.99 999
  153 7.9 79
//