ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010605
RECORD_TITLE: DIETHYL MALONATE; 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$NAME: DIETHYL MALONATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-00ou-9300000000-ca6a39f537696bdd1204
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  14 1.2 12
  15 3.9 39
  26 2.3 23
  27 2.13 21
  28 4.3 43
  29 99.99 999
  30 2.7 27
  31 0.85 9
  41 2.7 27
  42 25.6 256
  43 55.8 558
  44 0.19 2
  45 14.7 147
  47 1.2 12
  55 1.2 12
  59 0.16 2
  60 17.1 171
  61 7.4 74
  69 3.1 31
  70 0.39 4
  73 2.7 27
  86 1.9 19
  87 4.3 43
  88 2.21 22
  89 1.6 16
  105 3.5 35
  115 61.6 616
  116 0.39 4
  132 1.9 19
  135 36.8 368
  136 1.9 19
  160 0.62 6
  161 1.2 12
//