ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009150
RECORD_TITLE: 3-METHYL-1-PHENYL-3-BUTANOL; 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$NAME: 3-METHYL-1-PHENYL-3-BUTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16O
CH$EXACT_MASS: 164.12012
CH$SMILES: CC(C)(O)CCc(c1)cccc1
CH$IUPAC: InChI=1S/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
CH$LINK: INCHIKEY YXVSKJDFNJFXAJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3021851
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$SPLASH: splash10-0537-9500000000-ad1fba1549481a617c70
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  15 1.15 12
  27 3.12 31
  29 1.59 16
  31 7.14 71
  39 6.41 64
  41 5.15 52
  43 12.6 126
  50 1.69 17
  51 6.49 65
  52 1.39 14
  53 1.33 13
  55 1.1 11
  58 2.96 30
  59 99.99 999
  60 3.12 31
  63 2.77 28
  65 10.22 102
  77 9.49 95
  78 9.99 100
  79 4.45 45
  89 1.99 20
  91 88.25 883
  92 6.76 68
  103 3.55 36
  104 3.74 37
  105 7.42 74
  106 4.5 45
  115 1.15 12
  116 1.18 12
  117 1.32 13
  129 1.25 13
  131 59.79 598
  132 5.45 55
  145 1.55 16
  146 55 550
  147 7.78 78
  149 9.94 99
//
