ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002097
RECORD_TITLE: FUMARIC ACID DIMETHYL 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$NAME: FUMARIC ACID DIMETHYL ESTER
CH$NAME: TRANS-BUTENEDIOIC ACID DIMETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₈O₄
CH$EXACT_MASS: 144.04226
CH$SMILES: COC(=O)C=CC(=O)OC
CH$IUPAC: InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+
CH$LINK: INCHIKEY LDCRTTXIJACKKU-ONEGZZNKSA-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$SPLASH: splash10-03di-9600000000-85c5795d39a711edce4a
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  15 23.21 232
  26 10.89 109
  27 3.22 32
  29 4.66 47
  30 1.43 14
  31 2.15 22
  39 4.3 43
  41 3.51 35
  42 1.43 14
  44 1.43 14
  53 13.9 139
  54 9.67 97
  55 3.01 30
  59 28.72 287
  81 3.8 38
  82 5.16 52
  85 45.77 458
  86 2.58 26
  99 1.79 18
  100 1.93 19
  113 99.99 999
  114 17.19 172
  115 1.58 16
  144 1 10
//