ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009007
RECORD_TITLE: DIETHYL ETHYLMALONATE; 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$NAME: DIETHYL ETHYLMALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆O₄
CH$EXACT_MASS: 188.10486
CH$SMILES: CCOC(=O)C(CC)C(=O)OCC
CH$IUPAC: InChI=1S/C9H16O4/c1-4-7(8(10)12-5-2)9(11)13-6-3/h7H,4-6H2,1-3H3
CH$LINK: CAS 133-13-1
CH$LINK: INCHIKEY VQAZCUCWHIIFGE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7038739

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$SPLASH: splash10-00bc-9400000000-defa2f0e55db86b37aff
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  15 1.65 17
  26 2.69 27
  27 33.11 331
  28 3.9 39
  29 99.99 999
  30 2.14 21
  31 3.81 38
  39 8.98 90
  40 1.87 19
  41 15.72 157
  42 5.54 55
  43 31.07 311
  44 1.15 12
  45 14.13 141
  55 30.98 310
  56 1.03 10
  59 1.34 13
  60 1.12 11
  68 1.99 20
  69 13.02 130
  70 16.77 168
  71 6.81 68
  73 49.84 498
  74 1.82 18
  85 1.12 11
  86 8.38 84
  87 14.88 149
  88 13.15 132
  89 2.15 22
  99 3.12 31
  101 21.68 217
  102 1.06 11
  104 1.77 18
  105 1.34 13
  114 4.8 48
  115 7.11 71
  116 7.55 76
  129 2.17 22
  132 3.67 37
  133 6.33 63
  142 3.46 35
  143 53.97 540
  144 3.93 39
  160 50.53 505
  161 5.24 52
  173 1.14 11
//