ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009076
RECORD_TITLE: PROPYL PYRUVATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: PROPYL PYRUVATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O₃
CH$EXACT_MASS: 130.06299
CH$SMILES: CCCOC(=O)C(C)=O
CH$IUPAC: InChI=1S/C6H10O3/c1-3-4-9-6(8)5(2)7/h3-4H2,1-2H3
CH$LINK: INCHIKEY ILPVOWZUBFRIAX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50174129

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9000000000-58cade300c4fca5fe46b
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  14 1.31 13
  15 6.19 62
  26 1.21 12
  27 15.93 159
  29 3.5 35
  39 4.94 49
  41 18.93 189
  42 4.7 47
  43 99.99 999
  44 2.39 24
  71 1.13 11
  73 1.13 11
//