ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004045
RECORD_TITLE: DIETHYL FUMARATE; 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

CH$NAME: DIETHYL FUMARATE
CH$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$LINK: INCHIKEY IEPRKVQEAMIZSS-AATRIKPKSA-N
CH$LINK: COMPTOX DTXSID7027253

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-004j-7900000000-97f05f940fc7d080c359
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  69 3.1 31
  71 13.5 135
  72 4 40
  73 0.32 3
  81 7.5 75
  82 17.3 173
  83 2.7 27
  98 0.32 3
  99 76 760
  100 11.6 116
  101 2.8 28
  117 0.39 4
  125 2.3 23
  126 25.3 253
  127 99.99 999
  128 1 10
  129 2.3 23
  143 4 40
  145 2 20
//