ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009009
RECORD_TITLE: DIETHYL DIETHYLMALONATE; 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$NAME: DIETHYL DIETHYLMALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₄
CH$EXACT_MASS: 216.13616
CH$SMILES: CCOC(=O)C(CC)(CC)C(=O)OCC
CH$IUPAC: InChI=1S/C11H20O4/c1-5-11(6-2,9(12)14-7-3)10(13)15-8-4/h5-8H2,1-4H3
CH$LINK: INCHIKEY ZKBBUZRGPULIRN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0058807

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$SPLASH: splash10-004i-9600000000-bebdad332459d93d6f69
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  15 1.26 13
  26 2.12 21
  27 26.16 262
  28 3.22 32
  29 99.99 999
  30 2.31 23
  31 2.19 22
  39 8.42 84
  40 1.92 19
  41 30.77 308
  42 4.01 40
  43 15.34 153
  45 24.2 242
  53 4.81 48
  54 1.58 16
  55 24.21 242
  56 1.29 13
  57 7.94 79
  59 4.49 45
  67 2.68 27
  68 1.82 18
  69 34.46 345
  70 3.38 34
  71 4.81 48
  73 21.25 213
  81 1.22 12
  83 15.82 158
  84 1.05 11
  85 1.36 14
  86 3.28 33
  87 8.28 83
  95 1.33 13
  96 1.89 19
  97 8.9 89
  98 8.61 86
  99 15.27 153
  100 1.37 14
  101 29.92 299
  102 1.43 14
  113 4.73 47
  114 8.64 86
  115 30.85 309
  116 6.64 66
  127 4.87 49
  129 27.69 277
  130 1.67 17
  141 6.19 62
  142 19.45 195
  143 26.17 262
  144 8.84 88
  145 1.25 13
  157 2.17 22
  170 2.46 25
  171 24.45 245
  172 1.89 19
  173 15.69 157
  174 1.43 14
  187 2.16 22
  188 46.16 462
  189 3.89 39
//