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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006293

ETHYL PHENYLACETATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006293
RECORD_TITLE: ETHYL PHENYLACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O2
CH$EXACT_MASS: 164.08373
CH$SMILES: CCOC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
CH$LINK: CAS 101-97-3
CH$LINK: INCHIKEY DULCUDSUACXJJC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6044353

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0006-9000000000-8ded0cba19ae20da2ad4
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  15 3.31 33
  26 3.89 39
  27 15.48 155
  28 3.49 35
  29 33.83 338
  30 2.63 26
  38 2.13 21
  39 12.68 127
  40 0.95 10
  41 2.53 25
  42 1.04 10
  43 2.37 24
  45 1.21 12
  46 0.85 9
  50 2.78 28
  51 5.73 57
  52 1.85 19
  53 0.51 5
  61 0.65 7
  62 2.73 27
  63 8.18 82
  64 2.56 26
  65 18.43 184
  66 1.01 10
  74 0.57 6
  77 1.43 14
  78 0.66 7
  79 0.75 8
  89 6.37 64
  90 4.27 43
  91 99.99 999
  92 11.11 111
  105 1.84 18
  118 0.82 8
  119 1.68 17
  164 11.61 116
  165 1.31 13
//

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