ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004008
RECORD_TITLE: DIETHYL MALONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$LINK: INCHIKEY IYXGSMUGOJNHAZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021863

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-016u-9400000000-adc51f2543836992b5a7
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  14 2.7 27
  15 3.3 33
  26 2.2 22
  27 1.83 18
  28 5.2 52
  29 97.5 975
  30 3.2 32
  31 0.84 8
  41 3.9 39
  42 25.3 253
  43 67.9 679
  44 0.29 3
  45 15.8 158
  47 3.9 39
  55 2.6 26
  59 0.3 3
  60 20.6 206
  61 10 100
  69 3.7 37
  70 0.6 6
  73 4.5 45
  86 2.8 28
  87 12.3 123
  88 3.1 31
  89 4.3 43
  101 4 40
  105 5.9 59
  114 0.29 3
  115 99.99 999
  116 6.4 64
  132 3.3 33
  133 6.42 64
  134 4.5 45
  166 5.3 53
  167 3.1 31
//