ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010601
RECORD_TITLE: DIETHYL 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$NAME: DIETHYL MALEATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₂O₄
CH$EXACT_MASS: 172.07356
CH$SMILES: CCOC(=O)C=CC(=O)OCC
CH$IUPAC: InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5-
CH$LINK: INCHIKEY IEPRKVQEAMIZSS-WAYWQWQTSA-N
CH$LINK: COMPTOX DTXSID8020464

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$SPLASH: splash10-004j-9300000000-83beca9d9c20ad1ddc25
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  15 2.5 25
  26 10.3 103
  27 23.7 237
  28 0.39 4
  29 32.6 326
  30 1.1 11
  31 1.9 19
  43 0.39 4
  44 1.1 11
  45 5.6 56
  47 1.4 14
  53 0.19 2
  54 9.7 97
  55 7 70
  56 1.4 14
  71 0.5 5
  72 2.8 28
  81 1.1 11
  82 7 70
  99 99.99 999
  100 12 120
  101 1.4 14
  125 1.4 14
  126 2.2 22
  127 37.3 373
  128 10.6 106
  143 5 50
  145 1.7 17
//