ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002110
RECORD_TITLE: DIETHYL MALEATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: DIETHYL MALEATE
CH$NAME: CIS-BUTENEDIOIC ACID DIETHYL ESTER
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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-002b-9300000000-beca5d278a0d16ecf73b
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 1.07 11
  26 5.68 57
  27 12.56 126
  28 2.56 26
  29 19.63 196
  31 2.53 25
  43 3.28 33
  44 2.84 28
  45 6.25 63
  53 2.65 27
  54 7.13 71
  55 7.83 78
  71 4.86 49
  72 2.15 22
  81 1.58 16
  82 7.13 71
  98 1.26 13
  99 99.99 999
  100 12.31 123
  125 1.58 16
  126 12.63 126
  127 29.36 294
  128 6.19 62
  143 2.27 23
  145 1 10
//