ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009218
RECORD_TITLE: 3-ETHYL-5-METHYLPHENOL; 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$NAME: 3-ETHYL-5-METHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12O
CH$EXACT_MASS: 136.08882
CH$SMILES: CCc(c1)cc(O)cc(C)1
CH$IUPAC: InChI=1S/C9H12O/c1-3-8-4-7(2)5-9(10)6-8/h4-6,10H,3H2,1-2H3
CH$LINK: INCHIKEY XTCHLXABLZQNNN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60220101
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$SPLASH: splash10-00dr-7900000000-80e62eab57b0f556d76d
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  15 3.01 30
  26 1.43 14
  27 10.88 109
  29 2.32 23
  38 2.32 23
  39 16.05 161
  40 2.05 21
  41 6.22 62
  43 1.79 18
  50 3.98 40
  51 11.83 118
  52 3.98 40
  53 8.33 83
  55 3.78 38
  62 1.5 15
  63 4.14 41
  64 1.15 12
  65 8.75 88
  66 2.89 29
  67 3.59 36
  74 1.05 11
  75 1.05 11
  77 22.49 225
  78 4.7 47
  79 4.86 49
  81 1.19 12
  89 1.42 14
  91 23.55 236
  92 2.73 27
  93 2.97 30
  94 1.34 13
  103 3.07 31
  105 1.79 18
  107 8.56 86
  108 7.62 76
  109 1.29 13
  115 2.13 21
  119 1.3 13
  120 1.02 10
  121 99.99 999
  122 9.33 93
  135 4.25 43
  136 54.55 546
  137 4.3 43
//
