ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006901
RECORD_TITLE: 1-PHENYLETHYL ACETATE; 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$NAME: 1-PHENYLETHYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₂
CH$EXACT_MASS: 164.08373
CH$SMILES: CC(=O)OC(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3
CH$LINK: INCHIKEY QUMXDOLUJCHOAY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6041636

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$SPLASH: splash10-0zou-6900000000-fa56fe4a4c07ec5d1313
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 7.31 73
  27 6.63 66
  38 1.09 11
  39 8.4 84
  42 1.83 18
  43 99.99 999
  44 2.08 21
  50 8.21 82
  51 23.82 238
  52 5.36 54
  53 1.81 18
  62 1.2 12
  63 4.82 48
  65 2.38 24
  74 2.05 21
  75 1.86 19
  76 2.39 24
  77 42.49 425
  78 23.82 238
  79 25.85 259
  80 1.35 14
  89 1.59 16
  91 2.24 22
  102 2.46 25
  103 21.25 213
  104 97.1 971
  105 76.44 764
  106 6.47 65
  107 35.54 355
  108 2.2 22
  121 8.3 83
  122 81.95 820
  123 6.61 66
  164 20.15 202
  165 1.85 19
//