ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007030
RECORD_TITLE: CUMINYL ALCOHOL; 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$NAME: CUMINYL ALCOHOL
CH$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: INCHIKEY OIGWAXDAPKFNCQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021626

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$SPLASH: splash10-0kbr-6900000000-b8aff71f0bcacbaf724d
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  15 1.39 14
  18 2.32 23
  27 9.06 91
  28 1.94 19
  29 4.58 46
  31 8.05 81
  39 11.72 117
  40 1.09 11
  41 11.44 114
  43 8.6 86
  50 3.73 37
  51 12.33 123
  52 2.44 24
  53 3.06 31
  55 1.22 12
  60 2.03 20
  62 1.61 16
  63 5.77 58
  64 1.54 15
  65 7.22 72
  66 1.66 17
  67 1.87 19
  74 1.54 15
  75 1.81 18
  76 1.68 17
  77 24.64 246
  78 7.64 76
  79 39.82 398
  80 2.29 23
  89 3.02 30
  91 31.35 314
  92 3.08 31
  93 1.79 18
  102 1.97 20
  103 9.03 90
  104 2.52 25
  105 44.15 442
  106 3.52 35
  107 35.61 356
  108 2.5 25
  115 7.11 71
  116 1.6 16
  117 11.8 118
  118 2.63 26
  119 26.01 260
  120 3.08 31
  121 1.75 18
  132 1.34 13
  133 2.66 27
  134 1.44 14
  135 99.99 999
  136 9.93 99
  149 1.49 15
  150 48.05 481
  151 4.52 45
//