ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010477
RECORD_TITLE: PROPYL ACETOACETATE; 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$NAME: PROPYL ACETOACETATE
CH$NAME: ACETOACETIC ACID PROPYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂O₃
CH$EXACT_MASS: 144.07864
CH$SMILES: CCCOC(=O)CC(C)=O
CH$IUPAC: InChI=1S/C7H12O3/c1-3-4-10-7(9)5-6(2)8/h3-5H2,1-2H3
CH$LINK: INCHIKEY DHGFMVMDBNLMKT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60170394

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0006-9000000000-8f8352e2b9b063221027
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  26 6.36 64
  27 29.48 295
  28 4.31 43
  29 14.87 149
  30 1.49 15
  31 12.88 129
  37 1.47 15
  38 2.48 25
  39 12.3 123
  40 2.25 23
  41 24.32 243
  43 99.99 999
  44 2.98 30
  45 1.14 11
  55 1.39 14
  57 1.2 12
  58 3.05 31
  59 1.68 17
  60 8.45 85
  61 5.85 59
  69 6.84 68
  73 1.2 12
  84 5.83 58
  85 14.81 148
  87 2.05 21
  102 4.92 49
  103 6.61 66
  144 1.05 11
//