ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004277
RECORD_TITLE: FUMARIC ACID DIMETHYL ESTER (1,1,1,8,8,8-D6); 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$NAME: FUMARIC ACID DIMETHYL ESTER (1,1,1,8,8,8-D6)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₈O₄
CH$EXACT_MASS: 144.04226
CH$SMILES: [2H]C([2H])([2H])OC(=O)C=CC(=O)OC([2H])([2H])[2H]
CH$IUPAC: InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+/i1D3,2D3
CH$LINK: INCHIKEY LDCRTTXIJACKKU-XDMLVRQJSA-N

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$SPLASH: splash10-014i-6900000000-b4104322040a20afbf87
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  26 8.38 84
  30 3.84 38
  41 2.79 28
  42 1.61 16
  44 3.49 35
  53 13.97 140
  54 7.33 73
  62 25.14 251
  81 2.93 29
  82 3 30
  88 32.47 325
  89 1.96 20
  104 1 10
  106 1 10
  115 2.09 21
  116 99.99 999
  117 7.89 79
  118 24.65 247
  119 1.4 14
  150 0.56 6
//