ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006578
RECORD_TITLE: 1-PHENYL-2-METHYL-2-BUTANOL; 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$NAME: 1-PHENYL-2-METHYL-2-BUTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₆O
CH$EXACT_MASS: 164.12012
CH$SMILES: CCC(C)(O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C11H16O/c1-3-11(2,12)9-10-7-5-4-6-8-10/h4-8,12H,3,9H2,1-2H3
CH$LINK: INCHIKEY FTZBYXCNXOPJEL-UHFFFAOYSA-N

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$SPLASH: splash10-0006-9000000000-bf7f37b33ff652887f34
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  15 1.66 17
  18 2.3 23
  27 8.48 85
  29 12.4 124
  31 5.06 51
  39 11.07 111
  41 4.43 44
  42 1.06 11
  43 37.23 372
  44 1.05 11
  45 8.21 82
  50 2.04 20
  51 5.69 57
  52 1.58 16
  53 1.94 19
  55 27.92 279
  56 1.17 12
  57 11.88 119
  58 1.45 15
  63 3.9 39
  64 1.59 16
  65 15.68 157
  66 1.16 12
  68 1.03 10
  71 1.01 10
  72 1.31 13
  73 81.28 813
  74 3.69 37
  77 4 40
  78 1.85 19
  79 1.45 15
  89 2.95 30
  90 1.67 17
  91 48.44 484
  92 99.99 999
  93 9.32 93
  104 1.02 10
  105 2.19 22
  115 3.39 34
  116 1.82 18
  117 6.72 67
  131 5.43 54
  135 14.63 146
  136 1.23 12
  146 3.07 31
  149 3.15 32
//