ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004057
RECORD_TITLE: 5-METHYLRESORCINOL; 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$NAME: 5-METHYLRESORCINOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₈O₂
CH$EXACT_MASS: 124.05243
CH$SMILES: Cc(c1)cc(O)cc(O)1
CH$IUPAC: InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
CH$LINK: INCHIKEY OIPPWFOQEKKFEE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2060123

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$SPLASH: splash10-00di-9500000000-53de0f6e5775ab869216
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  14 1 10
  15 1 10
  17 1.1 11
  18 0.46 5
  26 3 30
  27 11 110
  28 7.4 74
  29 0.5 5
  31 1 10
  32 1 10
  37 2.9 29
  38 0.7 7
  39 22.4 224
  40 4 40
  41 12.2 122
  42 0.38 4
  43 11.3 113
  45 1.2 12
  50 7 70
  51 1.32 13
  52 5.7 57
  53 10.1 101
  54 1.5 15
  55 1.22 12
  61 6.9 69
  62 5 50
  63 3.4 34
  65 0.38 4
  66 4.9 49
  67 12.1 121
  68 0.9 9
  69 1.2 12
  74 1.3 13
  77 10 100
  78 9.1 91
  79 0.2 2
  81 5 50
  82 1 10
  83 1 10
  84 0.1 1
  85 1 10
  94 1.5 15
  95 15.4 154
  96 0.46 5
  105 1.8 18
  106 3.9 39
  107 8.2 82
  122 0.26 3
  123 5.1 51
  124 99.99 999
  125 7 70
//