ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005647
RECORD_TITLE: CUMIC ALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: CUMIC ALCOHOL
CH$NAME: 4-(1-METHYLETHYL)BENZENEMETHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O
CH$EXACT_MASS: 150.10447
CH$SMILES: OCc(c1)ccc(C(C)C)c1
CH$IUPAC: InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3
CH$LINK: CAS 536-60-7
CH$LINK: INCHIKEY OIGWAXDAPKFNCQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021626

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0pvr-3900000000-c32a1e404d8621266f63
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  29 4.06 41
  31 4.18 42
  41 7.6 76
  43 19.44 194
  58 1.02 10
  59 1.98 20
  77 10.58 106
  79 68.82 688
  80 3.53 35
  91 37.82 378
  92 5.14 51
  93 4.1 41
  103 5.36 54
  105 61.15 612
  106 5.42 54
  107 77.68 777
  108 7.28 73
  115 3.22 32
  116 1.01 10
  117 22.34 223
  118 3.02 30
  119 60.75 608
  120 9.48 95
  121 4.66 47
  132 2.64 26
  133 6.12 61
  134 2.47 25
  135 99.99 999
  136 23.25 233
  149 1 10
  150 75.36 754
  151 13.02 130
//