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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002533

PHENETHYL ACETATE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002533
RECORD_TITLE: PHENETHYL ACETATE; 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$NAME: PHENETHYL ACETATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0udl-9700000000-b8614ae98ed2ee102473
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  15 3.69 37
  27 1.94 19
  28 2.9 29
  39 4.69 47
  41 1.24 12
  43 71.07 711
  44 1.68 17
  50 1.66 17
  51 5.11 51
  52 1.44 14
  63 2.3 23
  65 6.57 66
  73 1.14 11
  77 5.01 50
  78 4.35 44
  79 2.02 20
  89 1.2 12
  91 17.04 170
  92 3.39 34
  103 4.61 46
  104 99.99 999
  105 11.87 119
//

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