MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005933

PYRUVIC ACID ETHYL ESTER; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005933
RECORD_TITLE: PYRUVIC ACID ETHYL ESTER; CI-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$NAME: PYRUVIC ACID ETHYL ESTER
CH$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: INCHIKEY XXRCUYVCPSWGCC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2060674

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-014i-4900000000-e148aa184db0bb5b7c16
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  71 1.86 19
  73 3.16 32
  74 22.22 222
  75 1.27 13
  77 4.86 49
  87 4.74 47
  89 55.52 555
  90 1.68 17
  116 88.54 885
  117 99.99 999
  118 7.26 73
//