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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009000

DIALLYL FUMARATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009000
RECORD_TITLE: DIALLYL FUMARATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: DIALLYL FUMARATE
CH$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$LINK: CAS 2807-54-7
CH$LINK: INCHIKEY ZPOLOEWJWXZUSP-AATRIKPKSA-N

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-000i-9400000000-19036641226a4176d0bc
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  26 5.33 53
  27 7.93 79
  28 14.46 145
  29 5.54 55
  30 1.09 11
  31 2.4 24
  37 1.31 13
  38 2.32 23
  39 25.87 259
  41 58.82 588
  42 2.41 24
  43 1.87 19
  45 1.67 17
  53 5.34 53
  54 10.58 106
  55 39.8 398
  56 4.87 49
  57 13.96 140
  58 2.72 27
  65 4.57 46
  66 1.67 17
  67 9.63 96
  68 1.33 13
  69 2.07 21
  71 1.83 18
  81 3.07 31
  82 10.11 101
  83 8.88 89
  93 3.43 34
  97 3.05 31
  98 1.15 12
  99 35.87 359
  100 2 20
  109 1.5 15
  111 35.72 357
  112 2.8 28
  127 1.53 15
  138 1.5 15
  139 99.99 999
  140 7.02 70
  151 1.98 20
  196 2.27 23
//

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