ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008246
RECORD_TITLE: DIMETHYL FUMALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: DIMETHYL FUMALATE
CH$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$LINK: CAS 624-49-7
CH$LINK: INCHIKEY LDCRTTXIJACKKU-ONEGZZNKSA-N

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-03di-9500000000-8e3b99fc3ddb06539d43
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  14 1.66 17
  15 39.31 393
  25 1.3 13
  26 15.81 158
  27 4.5 45
  28 1.01 10
  29 9.27 93
  30 1.75 18
  31 2.35 24
  39 5.02 50
  41 3.91 39
  42 1.58 16
  45 1.38 14
  53 14.78 148
  54 11.13 111
  55 3.21 32
  59 30.99 310
  60 0.68 7
  81 4.18 42
  82 6.24 62
  85 48.47 485
  86 2.43 24
  99 1.99 20
  100 2.46 25
  113 99.99 999
  114 19.52 195
  115 1.9 19
  144 2.58 26
//