ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002469
RECORD_TITLE: DIMETHYL ACETYLENEDICARBOXYLATE; 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$NAME: DIMETHYL ACETYLENEDICARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆O₄
CH$EXACT_MASS: 142.02661
CH$SMILES: COC(=O)C#CC(=O)OC
CH$IUPAC: InChI=1S/C6H6O4/c1-9-5(7)3-4-6(8)10-2/h1-2H3
CH$LINK: INCHIKEY VHILMKFSCRWWIJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0061088

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-03k9-4900000000-4d712956ef214af5d5b6
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  42 1.27 13
  43 4.94 49
  45 5.55 56
  51 1.92 19
  52 13.03 130
  53 6.22 62
  54 1.09 11
  58 1.83 18
  59 18.8 188
  65 1.06 11
  66 2 20
  68 1.16 12
  69 3.73 37
  74 3.03 30
  77 8.7 87
  78 1.3 13
  80 8.97 90
  81 1.25 13
  82 2.36 24
  83 3.96 40
  84 4.59 46
  91 5.08 51
  98 4.19 42
  105 2.44 24
  111 99.99 999
  112 15.13 151
  113 2.03 20
  121 68.24 682
  122 6.22 62
  142 1.16 12
//