MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004920

METHYL ACETOACETATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004920
RECORD_TITLE: METHYL ACETOACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

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CH$NAME: METHYL ACETOACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₈O₃
CH$EXACT_MASS: 116.04734
CH$SMILES: COC(=O)CC(C)=O
CH$IUPAC: InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3
CH$LINK: INCHIKEY WRQNANDWMGAFTP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9026716

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AC$INSTRUMENT: JEOL JMS-D-3000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0006-9000000000-f8789e71041e62cce331
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  42 9.91 99
  43 99.99 999
  44 4.62 46
  57 2.58 26
  58 1.72 17
  59 10.96 110
  69 6.56 66
  74 9.71 97
  84 5.02 50
  85 9.2 92
  86 1.28 13
  88 3 30
  101 3.1 31
  116 5.45 55
//