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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010945

DIMETHYL FUMARATE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010945
RECORD_TITLE: DIMETHYL FUMARATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, INSTITUTE FOR CHEMICAL REACTION SCIENCE TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: DIMETHYL FUMARATE
CH$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$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-03di-9800000000-d3ec2acefa5532f1d130
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  30 1.83 18
  31 2.35 24
  39 4.72 47
  41 3.88 39
  42 1.59 16
  53 14.52 145
  54 10.85 109
  55 3.48 35
  59 27.83 278
  81 4.43 44
  82 6.36 64
  85 49.56 496
  86 2.9 29
  99 2.34 23
  100 2.01 20
  113 99.99 999
  114 25.04 250
  115 2.17 22
  144 5.17 52
//

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