ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010620
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$INSTRUMENT: HITACHI RMU
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-002b-9400000000-d825de440937576c6f5c
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 2.7 27
  28 1.2 12
  29 10 100
  31 0.12 1
  43 1.2 12
  45 3.9 39
  47 2.1 21
  54 0.15 2
  55 5.4 54
  56 1.2 12
  71 2.7 27
  72 0.18 2
  82 6.3 63
  98 1.5 15
  99 99.99 999
  100 1.45 15
  101 1.5 15
  117 1.2 12
  125 2.4 24
  126 3.23 32
  127 47.4 474
  128 14.8 148
  129 1.5 15
  143 0.76 8
  145 2.7 27
//