ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008444
RECORD_TITLE: 2-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$NAME: 2-HYDROXY-3-METHOXYBENZALDEHYDE
CH$NAME: O-VANILLIN
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0zfr-7900000000-5a666fa369d0826b7411
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  15 3.88 39
  17 1.29 13
  26 2.95 30
  27 9.36 94
  29 9.08 91
  37 1.71 17
  38 4.88 49
  39 10.97 110
  41 3 30
  49 1.38 14
  50 9.06 91
  51 12.77 128
  52 12.78 128
  53 19.19 192
  54 2.68 27
  55 11.62 116
  61 2.18 22
  62 4.43 44
  63 9.44 94
  64 3.96 40
  65 8.39 84
  66 3.37 34
  67 2.79 28
  69 1.37 14
  74 1.66 17
  75 1.64 16
  76 10.48 105
  77 5.61 56
  78 5.69 57
  79 5.81 58
  80 4.61 46
  81 28.04 280
  82 1.34 13
  92 5.52 55
  93 4.37 44
  94 1.05 11
  95 2.89 29
  104 1.65 17
  105 5.8 58
  106 40.22 402
  107 6.29 63
  108 9.68 97
  109 34.93 349
  110 2.45 25
  120 4.48 45
  121 6.49 65
  122 12.32 123
  123 4.55 46
  124 1.96 20
  133 2.32 23
  136 4.38 44
  137 3.81 38
  151 16.45 165
  152 99.99 999
  153 7.75 78
//