ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000996
RECORD_TITLE: DL-ALPHA-PHENYLETHYL ALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: DL-ALPHA-PHENYLETHYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀O
CH$EXACT_MASS: 122.07316
CH$SMILES: CC(O)c(c1)cccc1
CH$IUPAC: InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
CH$LINK: INCHIKEY WAPNOHKVXSQRPX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1020859

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-056r-9500000000-61e44f8631f9ac4d265a
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  15 1.86 19
  27 4.87 49
  28 3.54 35
  29 1.95 20
  39 6.38 64
  43 34.37 344
  45 4.52 45
  50 7 70
  51 19.49 195
  52 4.34 43
  53 2.66 27
  53.5 9.92 99
  63 2.48 25
  65 1.51 15
  74 2.21 22
  75 2.04 20
  76 1.77 18
  77 39.86 399
  78 19.57 196
  79 76.97 770
  80 4.61 46
  91 1.95 20
  103 4.34 43
  104 4.52 45
  105 8.68 87
  107 99.99 999
  108 7.53 75
  121 5.14 51
  122 24.8 248
  123 2.39 24
//