MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003394

DIETHYL MALEATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003394
RECORD_TITLE: DIETHYL MALEATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
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$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0f92-9600000000-7044fd2900eb33b94df7
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  43 11.3 113
  44 2.7 27
  45 9.4 94
  53 25.9 259
  54 16 160
  71 13.4 134
  72 3.7 37
  82 1.29 13
  99 99.99 999
  100 13.6 136
  125 2.3 23
  126 2.62 26
  127 68.8 688
  128 13.1 131
  143 6.2 62
  145 0.28 3
  173 15.6 156
//