ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008550
RECORD_TITLE: ACETOIN ACETATE; 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$NAME: ACETOIN ACETATE
CH$NAME: 1-ACETYLETHYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O₃
CH$EXACT_MASS: 130.06299
CH$SMILES: CC(=O)OC(C)C(C)=O
CH$IUPAC: InChI=1S/C6H10O3/c1-4(7)5(2)9-6(3)8/h5H,1-3H3
CH$LINK: INCHIKEY ZKPTYCJWRHHBOW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60964154

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$SPLASH: splash10-0006-9000000000-e7ac49abd7363a6c2ff9
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  15 4.45 45
  27 2.25 23
  42 2.65 27
  43 99.99 999
  44 2.36 24
  45 3.74 37
  86 1.41 14
  87 14.37 144
  88 1.1 11
  130 2.56 26
//