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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002926

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-JP002926
RECORD_TITLE: DIMETHYL FUMARATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03di-9500000000-ef1a2c817c752048ca3d
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  15 39.31 393
  26 15.81 158
  27 4.5 45
  29 9.27 93
  31 2.35 24
  39 5.02 50
  41 3.91 39
  53 14.78 148
  54 11.13 111
  55 3.21 32
  59 30.99 310
  81 4.18 42
  82 6.24 62
  85 48.47 485
  86 2.43 24
  100 2.46 25
  113 99.99 999
  114 19.52 195
  144 2.57 26
//

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