ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006573
RECORD_TITLE: 2-PHENYL-2-PROPANOL; 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$NAME: 2-PHENYL-2-PROPANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂O
CH$EXACT_MASS: 136.08882
CH$SMILES: CC(C)(O)c(c1)cccc1
CH$IUPAC: InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
CH$LINK: INCHIKEY BDCFWIDZNLCTMF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3027247

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$SPLASH: splash10-006x-9400000000-33a839b96222ea561977
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  15 3.28 33
  18 2.42 24
  27 3.04 30
  29 1.09 11
  31 2.39 24
  38 1.3 13
  39 6.81 68
  41 2.58 26
  43 99.99 999
  44 2.41 24
  50 5.22 52
  51 15.85 159
  52 3.12 31
  53 1.19 12
  58 1.75 18
  59 3.82 38
  61 2.82 28
  62 1.27 13
  63 3.54 35
  65 3.46 35
  74 1.78 18
  75 1.64 16
  76 1.75 18
  77 16.44 164
  78 13.89 139
  79 1.68 17
  89 1.15 12
  91 8.17 82
  93 1.09 11
  102 1.82 18
  103 9.63 96
  104 1.13 11
  105 2.76 28
  115 3.36 34
  117 10.65 107
  118 14.29 143
  119 2.13 21
  121 54.6 546
  122 4.21 42
  136 2.52 25
//