ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011319
RECORD_TITLE: DL-ALPHA-PHENYLETHANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: DL-ALPHA-PHENYLETHANOL
CH$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$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-056r-9700000000-b55daadb4b176fb12df9
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  15 1.26 13
  27 3.48 35
  29 1.73 17
  38 1.21 12
  39 4.98 50
  43 25.56 256
  45 3.39 34
  50 5.72 57
  51 5.72 57
  52 3.87 39
  53 8.6 86
  60 1.13 11
  63 2.31 23
  65 1.42 14
  74 1.94 19
  75 1.4 14
  76 1.48 15
  77 35.21 352
  78 17.01 170
  79 70.78 708
  80 4.87 49
  91 1.99 20
  103 3.39 34
  104 2.39 24
  105 9.4 94
  106 1.46 15
  107 99.99 999
  108 7.81 78
  121 6.44 64
  122 45.57 456
  123 4.04 40
//