ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006580
RECORD_TITLE: 4-METHYL-1-PHENYL-2-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$NAME: 4-METHYL-1-PHENYL-2-PENTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H18O
CH$EXACT_MASS: 178.13577
CH$SMILES: CC(C)CC(O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C12H18O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3
CH$LINK: INCHIKEY IUADYGVMSDKSMB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8047717
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$SPLASH: splash10-0006-9000000000-546988c3bfc7f11c1acb
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 3.17 32
  29 2.51 25
  39 3.7 37
  41 8.39 84
  43 14.56 146
  44 1.03 10
  45 7.36 74
  51 1.91 19
  57 2.1 21
  63 1.18 12
  65 6.38 64
  69 13.35 134
  71 1.07 11
  77 2.82 28
  87 1.3 13
  89 1.15 12
  91 27.75 278
  92 99.99 999
  93 7.85 79
  103 3.29 33
  121 3.46 35
//
