ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009003
RECORD_TITLE: DIETHYL MALONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: DIETHYL MALONATE
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-00ou-9300000000-baedf40984817543fb55
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  14 1.32 13
  15 3.77 38
  26 3.39 34
  27 30.31 303
  28 4.67 47
  29 99.99 999
  30 2.63 26
  31 9.65 97
  41 3.25 33
  42 39.4 394
  43 59.82 598
  44 1.75 18
  45 17.05 171
  59 1.94 19
  60 20.36 204
  61 6.73 67
  69 4.22 42
  70 3.21 32
  73 2.42 24
  86 1.73 17
  87 10.62 106
  88 27.29 273
  89 1.57 16
  105 3.27 33
  114 1 10
  115 79.91 799
  116 3.07 31
  132 1.88 19
  133 41.19 412
  134 2.01 20
  160 3.4 34
//