ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005294
RECORD_TITLE: DIMETHYL FUMARATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: DIMETHYL FUMARATE
CH$NAME: FUMARIC 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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-03di-9500000000-38079515fe54a7a128d6
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  14 1.06 11
  15 30.79 308
  25 1.37 14
  26 14.51 145
  27 3.96 40
  28 7.04 70
  29 6.81 68
  30 2.01 20
  31 2.36 24
  39 4.26 43
  41 4.5 45
  42 1.42 14
  43 1.95 20
  44 2.01 20
  53 13.85 139
  54 10.6 106
  55 3.14 31
  56 1.9 19
  59 27.69 277
  69 1.41 14
  71 1.43 14
  81 3.66 37
  82 5.14 51
  83 1.12 11
  85 42.63 426
  86 2.13 21
  99 1.48 15
  100 2.07 21
  113 99.99 999
  114 18.12 181
  115 1.66 17
  144 3.08 31
//