ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006575
RECORD_TITLE: 1-(4-METHYLPHENYL)ETHANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 1-(4-METHYLPHENYL)ETHANOL
CH$NAME: ALPHA,PARA-DIMETHYLBENZYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12O
CH$EXACT_MASS: 136.08882
CH$SMILES: Cc(c1)ccc(c1)C(C)O
CH$IUPAC: InChI=1S/C9H12O/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8,10H,1-2H3
CH$LINK: INCHIKEY JESIHYIJKKUWIS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00862145
AC$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: splash10-006x-9500000000-cdcc4c37b1e66de2f9f1
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  15 1.68 17
  27 3.36 34
  29 1.98 20
  38 1.01 10
  39 9.58 96
  41 2.87 29
  43 32.39 324
  44 1.1 11
  45 2.67 27
  50 2.67 27
  51 7.45 75
  52 1.7 17
  53 1.85 19
  60 3 30
  62 1.92 19
  63 5.24 52
  64 1.4 14
  65 14.71 147
  66 1.59 16
  67 1.85 19
  77 29.26 293
  78 4.52 45
  79 1.43 14
  89 3.71 37
  90 1.6 16
  91 43.9 439
  92 14.45 145
  93 68.18 682
  94 4.57 46
  103 1.38 14
  105 1 10
  115 2.75 28
  117 2.76 28
  118 1.61 16
  119 7.05 71
  120 1.37 14
  121 99.99 999
  122 9.23 92
  135 1.96 20
  136 39.1 391
  137 3.29 33
//
