ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004770
RECORD_TITLE: ETHYL 4-OXO-2-PHENYLPENTANOATE; 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$NAME: ETHYL 4-OXO-2-PHENYLPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₆O₃
CH$EXACT_MASS: 220.10994
CH$SMILES: CCOC(=O)C(CC(C)=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H16O3/c1-3-16-13(15)12(9-10(2)14)11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3
CH$LINK: INCHIKEY MPTUXQOIIUTVGD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60285816

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0a4i-5390000000-920861c86a9c8d13051f
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  40 8.69 87
  53 6.14 61
  56 30.15 302
  57 1.72 17
  67 6.71 67
  69 2.28 23
  77 2.39 24
  79 1.88 19
  80 1.79 18
  81 10.02 100
  91 4.4 44
  95 6.26 63
  105 6.44 64
  115 2.69 27
  119 3.56 36
  121 3.08 31
  128 2.25 23
  129 2.37 24
  131 3.42 34
  133 2.13 21
  145 11.68 117
  149 2.25 23
  161 3.97 40
  163 2.11 21
  177 7.09 71
  189 3.65 37
  205 99.99 999
  206 16 160
  220 26.72 267
  221 4.5 45
//