ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009073
RECORD_TITLE: BUTYL 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$NAME: BUTYL PYRUVATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂O₃
CH$EXACT_MASS: 144.07864
CH$SMILES: CCCCOC(=O)C(C)=O
CH$IUPAC: InChI=1S/C7H12O3/c1-3-4-5-10-7(9)6(2)8/h3-5H2,1-2H3
CH$LINK: INCHIKEY ZAZUOXBHFXAWMD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20335220

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$SPLASH: splash10-0006-9000000000-10bc201f1ae9225f32de
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  14 1.19 12
  15 8.32 83
  26 1.62 16
  27 13.14 131
  29 43.44 434
  30 1.04 10
  39 8.35 84
  41 40.3 403
  42 5.75 58
  43 99.99 999
  44 2.99 30
  55 4.19 42
  56 8.36 84
  57 36.8 368
  58 1.64 16
  72 1.63 16
//