ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005909
RECORD_TITLE: ETHYL 3-OXOBUTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000f-9000000000-aad3ec5cf145a6891816
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 1.66 17
  28 1.02 10
  29 18.49 185
  31 3.84 38
  42 4.22 42
  43 99.99 999
  44 2.43 24
  45 5.62 56
  46 1.28 13
  56 1.02 10
  58 5.76 58
  60 12.66 127
  61 6.65 67
  69 4.99 50
  70 2.94 29
  73 2.55 26
  84 6.52 65
  85 21.74 217
  86 1.53 15
  87 4.86 49
  88 34.01 340
  89 1.79 18
  102 5.88 59
  115 3.19 32
  130 15.86 159
  131 1.28 13
//