ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008187
RECORD_TITLE: 2-PHENYL-1-PROPANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: 2-PHENYL-1-PROPANOL
CH$NAME: BETA-METHYLPHENETHYL ALCOHOL
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: CAS 1123-85-9
CH$LINK: INCHIKEY RNDNSYIPLPAXAZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8037756

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0a4i-7900000000-a5ffee397c5e0451b263
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  15 2.6 26
  27 4.47 45
  28 1.61 16
  29 8.46 85
  30 1.26 13
  31 20.15 202
  32 5.78 58
  38 1.18 12
  39 5.44 54
  41 1.09 11
  43 1.66 17
  50 3.98 40
  51 8.94 89
  52 2.57 26
  53 1.51 15
  62 1.35 14
  63 4.3 43
  65 3.64 36
  74 1.85 19
  75 1.42 14
  76 1.5 15
  77 21.15 212
  78 9.36 94
  79 18.18 182
  80 1.19 12
  89 1.69 17
  91 14.47 145
  92 1.23 12
  102 2.05 21
  103 15.88 159
  104 8.92 89
  105 99.99 999
  106 28.8 288
  107 2.14 21
  115 1.25 13
  117 1.42 14
  118 1.45 15
  136 19.6 196
  137 2.03 20
//