ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004016
RECORD_TITLE: 3,4-DIMETHYLPHENOL; 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$NAME: 3,4-DIMETHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O
CH$EXACT_MASS: 122.07316
CH$SMILES: Oc(c1)cc(C)c(C)c1
CH$IUPAC: InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
CH$LINK: INCHIKEY YCOXTKKNXUZSKD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4024062
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$SPLASH: splash10-0avi-5900000000-effbac24fad4c27cf9b6
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  38 6.3 63
  39 24.5 245
  40 3 30
  41 0.6 6
  42 1.5 15
  43 3 30
  49 1 10
  50 0.9 9
  51 17 170
  52 6.5 65
  53 10.9 109
  54 0.3 3
  55 4.5 45
  59 2.5 25
  60 2.3 23
  61 0.38 4
  62 3.5 35
  63 7.9 79
  64 1.7 17
  65 0.84 8
  66 3 30
  67 2 20
  74 2.3 23
  75 0.2 2
  76 2 20
  77 24.5 245
  78 6.2 62
  79 0.82 8
  81 1.5 15
  89 2 20
  91 5 50
  92 0.29 3
  93 3.1 31
  94 2 20
  95 1.4 14
  100 0.3 3
  103 2.5 25
  104 1.2 12
  105 2.9 29
  107 99.99 999
  108 7.2 72
  119 56.1 561
  120 2.8 28
  121 4.81 48
  122 82.8 828
  123 7 70
//
