ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005422
RECORD_TITLE: ETHYL ACETYLACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL ACETYLACETATE
CH$NAME: ETHYL 3-OXOBUTANOATE
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: INCHIKEY XYIBRDXRRQCHLP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2027092

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0006-9000000000-f40d68840be65d2cc6bd
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  14 1.7 17
  15 7.61 76
  26 2.84 28
  27 9.83 98
  28 1.14 11
  29 20.11 201
  31 14.2 142
  39 1.14 11
  41 3.3 33
  42 10.68 107
  43 99.99 999
  44 3.58 36
  45 10.23 102
  46 2.95 30
  58 2.84 28
  60 8.3 83
  61 3.86 39
  69 12.67 127
  70 2.44 24
  73 1.42 14
  84 14.83 148
  85 19.89 199
  86 1.25 13
  87 3.01 30
  88 19.43 194
  102 3.69 37
  103 1.08 11
  115 1.36 14
  130 5.45 55
  131 6.48 65
//