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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010602

DIALLYL MALEATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010602
RECORD_TITLE: DIALLYL MALEATE; 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$NAME: DIALLYL MALEATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O4
CH$EXACT_MASS: 196.07356
CH$SMILES: C=CCOC(=O)C=CC(=O)OCC=C
CH$IUPAC: InChI=1S/C10H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-6H,1-2,7-8H2/b6-5-
CH$LINK: INCHIKEY ZPOLOEWJWXZUSP-WAYWQWQTSA-N
CH$LINK: COMPTOX DTXSID3044752

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$SPLASH: splash10-0007-9000000000-531654f4fa36b964bf32
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  26 6.5 65
  27 8 80
  28 2.2 22
  29 0.28 3
  31 1.9 19
  39 16.7 167
  40 2.2 22
  41 99.99 999
  42 6.2 62
  43 3.1 31
  45 1.5 15
  53 0.15 2
  54 6.8 68
  55 4.3 43
  56 1.2 12
  57 0.77 8
  58 1.2 12
  67 2.2 22
  69 1.5 15
  71 0.19 2
  80 2.5 25
  81 1.2 12
  82 3.7 37
  83 0.15 2
  98 1.5 15
  99 52 520
  100 3.4 34
  122 0.12 1
  139 5.9 59
  140 7.1 71
//

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