ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007668
RECORD_TITLE: DIETHYL MALONATE; 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$NAME: DIETHYL MALONATE
CH$NAME: MALONIC ACID DIETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂O₄
CH$EXACT_MASS: 160.07356
CH$SMILES: CCOC(=O)CC(=O)OCC
CH$IUPAC: InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3
CH$LINK: CAS 105-53-3
CH$LINK: INCHIKEY IYXGSMUGOJNHAZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021863

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$SPLASH: splash10-00pl-9100000000-686a923858ceb77f2ab3
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  14 4.55 46
  15 9.09 91
  19 1.82 18
  26 7.45 75
  27 37.09 371
  28 8.18 82
  29 99.99 999
  30 3.64 36
  31 59.36 594
  40 7.18 72
  41 11.36 114
  42 35.73 357
  43 69.82 698
  44 13.64 136
  45 48.73 487
  46 9.45 95
  55 3.55 36
  60 13.55 136
  61 5.91 59
  68 7.36 74
  69 30.82 308
  70 6.45 65
  73 2.27 23
  86 9.27 93
  87 6.91 69
  88 15.91 159
  105 3.55 36
  114 3.18 32
  115 48.73 487
  116 2.55 26
  133 29.09 291
  134 1.36 14
//