ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006579
RECORD_TITLE: 3-METHYL-1-PHENYL-3-PENTANOL; 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$NAME: 3-METHYL-1-PHENYL-3-PENTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₈O
CH$EXACT_MASS: 178.13577
CH$SMILES: CCC(C)(O)CCc(c1)cccc1
CH$IUPAC: InChI=1S/C12H18O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3
CH$LINK: INCHIKEY AEJRTNBCFUOSEM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60864266

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$SPLASH: splash10-006x-9400000000-d1d3d5961d99b1b39b86
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  27 5.08 51
  29 4.7 47
  31 1.73 17
  39 4.14 41
  41 2.75 28
  43 12.52 125
  45 3.11 31
  51 3.7 37
  52 1.09 11
  53 1.16 12
  55 11.53 115
  57 1.83 18
  58 1.96 20
  63 1.72 17
  65 8.68 87
  73 61.32 613
  74 2.51 25
  77 5.9 59
  78 3.33 33
  79 2.84 28
  89 1.45 15
  91 99.99 999
  92 8.13 81
  103 2.47 25
  104 4.98 50
  105 6.51 65
  106 2.51 25
  131 37.92 379
  132 3.34 33
  145 2.42 24
  149 14.38 144
  150 1.39 14
  160 29.48 295
  161 3.81 38
  163 3.03 30
//