ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002140
RECORD_TITLE: FUMARIC ACID DIETHYL ESTER; 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$NAME: FUMARIC ACID DIETHYL ESTER
CH$NAME: TRANS-BUTENEDIOIC ACID DIETHYL ESTER
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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-004i-9500000000-7af424f697038d4057e4
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  15 3.58 36
  26 11.83 118
  27 21.77 218
  28 12.56 126
  29 42.11 421
  30 1.79 18
  31 4.48 45
  43 6.72 67
  44 10.22 102
  45 15.5 155
  53 8.78 88
  54 10.93 109
  55 24.64 246
  56 1.79 18
  71 10.3 103
  72 2.69 27
  81 7.71 77
  82 12.54 125
  83 1.34 13
  98 3.14 31
  99 62.72 627
  100 12.28 123
  101 1 10
  117 5.02 50
  125 3.14 31
  126 25.9 259
  127 99.99 999
  128 9.68 97
  129 1 10
  143 2.87 29
  145 2.69 27
//