ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006377
RECORD_TITLE: PHENYLETHYL ACETATE; 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$NAME: PHENYLETHYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₂
CH$EXACT_MASS: 164.08373
CH$SMILES: CC(=O)OCCc(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
CH$LINK: INCHIKEY MDHYEMXUFSJLGV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7044506

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$SPLASH: splash10-0f6x-9600000000-aeee3186e3cf069e2ea0
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  15 4.24 42
  27 2.03 20
  39 6.51 65
  41 1.26 13
  42 1.18 12
  43 81.56 816
  44 1.54 15
  50 2.01 20
  51 6.46 65
  52 1.54 15
  63 3.38 34
  65 9.61 96
  77 6.75 68
  78 6.35 64
  79 2.58 26
  89 1.81 18
  91 20.17 202
  92 3.81 38
  103 6.44 64
  104 99.99 999
  105 11.8 118
//