ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004043
RECORD_TITLE: 2,4,6-TRIMETHYLPHENOL; 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$NAME: 2,4,6-TRIMETHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12O
CH$EXACT_MASS: 136.08882
CH$SMILES: Cc(c1)cc(C)c(O)c(C)1
CH$IUPAC: InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3
CH$LINK: INCHIKEY BPRYUXCVCCNUFE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7022049
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$SPLASH: splash10-0079-2900000000-96d1b2eeedae4adc640d
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  27 2.6 26
  28 4.1 41
  29 1.8 18
  39 0.69 7
  40 1.2 12
  41 4.5 45
  43 2.2 22
  51 0.4 4
  52 1.3 13
  53 3 30
  55 1.5 15
  57 0.18 2
  63 2.1 21
  65 4.4 44
  66 2 20
  67 0.49 5
  68 2.3 23
  77 9.3 93
  78 2 20
  79 0.43 4
  91 16 160
  92 2 20
  93 5.1 51
  94 0.15 2
  103 4 40
  105 1.8 18
  107 2 20
  108 0.15 2
  117 4.5 45
  118 2.5 25
  119 2 20
  121 99.99 999
  122 8 80
  135 34.8 348
  136 98 980
  137 8.6 86
//
