ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006576
RECORD_TITLE: 2-PHENYLPROPANOL; 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$NAME: 2-PHENYLPROPANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂O
CH$EXACT_MASS: 136.08882
CH$SMILES: OCC(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
CH$LINK: INCHIKEY RNDNSYIPLPAXAZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8037756

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$SPLASH: splash10-0a4i-6900000000-96ed949de565de39d262
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  18 1.27 13
  27 5.49 55
  29 2.49 25
  31 6.91 69
  39 6.62 66
  41 1.15 12
  43 1.99 20
  50 3.33 33
  51 10.38 104
  52 2.02 20
  53 1.44 14
  62 1.01 10
  63 2.93 29
  65 3.18 32
  74 1.14 11
  75 1.17 12
  76 1.07 11
  77 19.23 192
  78 7.33 73
  79 16.19 162
  89 1.29 13
  91 12.53 125
  92 1.99 20
  102 1.29 13
  103 11.3 113
  104 5.74 57
  105 99.99 999
  106 22.85 229
  107 1.58 16
  136 11.58 116
//