MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011299

ETHYL PYRUVATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011299
RECORD_TITLE: ETHYL PYRUVATE; 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

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CH$NAME: ETHYL PYRUVATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₈O₃
CH$EXACT_MASS: 116.04734
CH$SMILES: CCOC(=O)C(C)=O
CH$IUPAC: InChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3
CH$LINK: CAS 617-35-6
CH$LINK: INCHIKEY XXRCUYVCPSWGCC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2060674

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AC$INSTRUMENT: HITACHI M-2500
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0006-9000000000-980c9b02bf8c3edc429d
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  14 2.37 24
  15 8.62 86
  26 3.61 36
  27 14.56 146
  28 2.26 23
  29 18.32 183
  30 1.24 12
  31 4.56 46
  39 2.07 21
  40 1.1 11
  41 1.23 12
  42 6.73 67
  43 99.99 999
  44 3.4 34
  45 3.96 40
  61 4.01 40
  68 2.17 22
  73 1.73 17
  89 2.39 24
  116 1.64 16
  117 1.37 14
//