ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004056
RECORD_TITLE: 3-METHYLPYROCATECHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 3-METHYLPYROCATECHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8O2
CH$EXACT_MASS: 124.05243
CH$SMILES: Cc(c1)c(O)c(O)cc1
CH$IUPAC: InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3
CH$LINK: INCHIKEY PGSWEKYNAOWQDF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9060071
AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-00di-7900000000-30c68a9fce29834d697d
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  18 1.2 12
  26 1.5 15
  27 4 40
  28 0.29 3
  29 1.5 15
  31 1.2 12
  37 1.8 18
  38 0.39 4
  39 13.5 135
  40 2 20
  41 5.5 55
  43 0.21 2
  47 2.2 22
  47.5 1.5 15
  48 2 20
  50 0.41 4
  51 12.5 125
  52 6.9 69
  53 4.1 41
  55 0.4 4
  60 1 10
  61 1 10
  62 5.1 51
  63 0.38 4
  64 1 10
  65 4.1 41
  66 4.1 41
  67 0.52 5
  76 1.9 19
  77 18.9 189
  78 46.9 469
  79 0.56 6
  81 2 20
  94 1.5 15
  95 7.3 73
  96 0.2 2
  105 10.9 109
  106 12.8 128
  107 9.2 92
  109 0.11 1
  123 40.3 403
  124 99.99 999
  125 8.1 81
//
