ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005870
RECORD_TITLE: PYRUVIC ACID ETHYL ESTER; 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$NAME: PYRUVIC ACID ETHYL ESTER
CH$NAME: 2-OXOPROPANOIC ACID ETHYL ESTER
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

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$SPLASH: splash10-0006-9000000000-6b9687c0790faebef406
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  14 2.08 21
  15 10.19 102
  26 1.32 13
  27 9.06 91
  28 2.83 28
  29 21.7 217
  31 1.13 11
  42 3.96 40
  43 99.99 999
  44 2.64 26
  45 4.15 42
  57 1.13 11
  61 1.51 15
  73 1.32 13
  116 3.02 30
//