ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009819
RECORD_TITLE: DIETHYL 2,2-DIMETHYLMALONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: DIETHYL 2,2-DIMETHYLMALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆O₄
CH$EXACT_MASS: 188.10486
CH$SMILES: CCOC(=O)C(C)(C)C(=O)OCC
CH$IUPAC: InChI=1S/C9H16O4/c1-5-12-7(10)9(3,4)8(11)13-6-2/h5-6H2,1-4H3
CH$LINK: INCHIKEY UELKSYXXNGHTSE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70167270

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-000i-9300000000-6c4baca797334f6fb068
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  26 1.1 11
  27 12.8 128
  29 39.7 397
  30 0.13 1
  31 2.5 25
  39 5.2 52
  40 1.6 16
  41 1.91 19
  42 13.8 138
  43 14.1 141
  44 2.2 22
  45 0.86 9
  55 4.8 48
  56 5.6 56
  57 9.2 92
  59 4.38 44
  60 2.7 27
  69 12.5 125
  70 34.8 348
  71 1.31 13
  72 1.4 14
  73 32.3 323
  74 1.6 16
  86 0.48 5
  87 64.5 645
  88 99.99 999
  89 7.8 78
  99 0.2 2
  101 2.3 23
  114 3.6 36
  115 58.9 589
  116 7.41 74
  117 8.1 81
  128 2.2 22
  129 8.3 83
  132 0.16 2
  133 7.7 77
  142 1.6 16
  143 50.8 508
  144 0.86 9
  160 1.4 14
  161 2.7 27
  188 5.5 55
//