ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009028
RECORD_TITLE: ETHYL ACETOACETATE; 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$NAME: ETHYL ACETOACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O₃
CH$EXACT_MASS: 130.06299
CH$SMILES: CCOC(=O)CC(C)=O
CH$IUPAC: InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
CH$LINK: CAS 141-97-9
CH$LINK: INCHIKEY XYIBRDXRRQCHLP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2027092

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$SPLASH: splash10-0006-9000000000-4a1188d69a9a3efd5ef8
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  14 1.24 12
  15 6.35 64
  26 2.46 25
  27 14.3 143
  29 21.44 214
  31 5.33 53
  39 1.39 14
  41 1.52 15
  42 15.7 157
  43 99.99 999
  44 2.05 21
  45 4.88 49
  58 2.38 24
  60 10.03 100
  61 4.07 41
  69 4.74 47
  70 1.37 14
  73 1.33 13
  84 2.56 26
  85 14.88 149
  87 3.69 37
  88 17.95 180
  102 3.42 34
  115 1.36 14
  130 5.73 57
//