ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010624
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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-017i-9800000000-b9f129ca3341a0dc4057
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  27 3.3 33
  28 2.2 22
  29 81.8 818
  30 0.19 2
  31 5.4 54
  41 2.2 22
  42 9.2 92
  43 5.93 59
  44 1.6 16
  45 14.9 149
  46 1.1 11
  47 0.14 1
  55 1.4 14
  60 23 230
  61 14.6 146
  69 0.11 1
  70 6 60
  73 3.8 38
  86 2.4 24
  87 1.06 11
  88 39.8 398
  89 3.3 33
  104 1.1 11
  105 0.68 7
  114 1.9 19
  115 99.99 999
  116 6.8 68
  117 0.11 1
  131 1.1 11
  132 4.1 41
  133 73.2 732
  134 0.49 5
  145 1.1 11
  160 10.6 106
  161 1.6 16
//