ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002631
RECORD_TITLE: 2,4-HEXADIENEDIOIC ACID DIMETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: 2,4-HEXADIENEDIOIC ACID DIMETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O4
CH$EXACT_MASS: 170.05791
CH$SMILES: COC(=O)C=CC=CC(=O)OC
CH$IUPAC: InChI=1S/C8H10O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H,1-2H3/b5-3+,6-4+
CH$LINK: INCHIKEY PXYBXMZVYNWQAM-GGWOSOGESA-N
AC$INSTRUMENT: JEOL JMS-01-SG
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-6900000000-b3c5616a8a5a7e8a7743
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  50 9.8 98
  51 22.3 223
  52 17.6 176
  53 0.96 10
  54 7.7 77
  55 9.6 96
  59 17.1 171
  68 0.79 8
  69 2.5 25
  79 17.3 173
  80 7.7 77
  83 0.37 4
  95 3 30
  107 3.5 35
  111 99.99 999
  112 0.72 7
  123 11 110
  139 25.5 255
  155 3.5 35
  170 13.3 133
//
