MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004044

DIETHYL MALEATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004044
RECORD_TITLE: DIETHYL MALEATE; 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$NAME: DIETHYL MALEATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₂O₄
CH$EXACT_MASS: 172.07356
CH$SMILES: CCOC(=O)C=CC(=O)OCC
CH$IUPAC: InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5-
CH$LINK: INCHIKEY IEPRKVQEAMIZSS-WAYWQWQTSA-N
CH$LINK: COMPTOX DTXSID8020464

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AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-002b-9700000000-b8b2e754c193242cc346
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  69 2.5 25
  71 16.6 166
  72 8 80
  73 0.23 2
  81 4.5 45
  82 27.2 272
  83 3.1 31
  98 0.6 6
  99 99.99 999
  100 33.5 335
  101 3.1 31
  117 0.31 3
  118 2 20
  125 4.3 43
  126 44.5 445
  127 9.63 96
  128 24.6 246
  129 3 30
  143 9 90
  145 3.5 35
//