ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007865
RECORD_TITLE: DIETHYL ISOPROPYLMALONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: DIETHYL ISOPROPYLMALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₄
CH$EXACT_MASS: 202.12051
CH$SMILES: CCOC(=O)C(C(C)C)C(=O)OCC
CH$IUPAC: InChI=1S/C10H18O4/c1-5-13-9(11)8(7(3)4)10(12)14-6-2/h7-8H,5-6H2,1-4H3
CH$LINK: INCHIKEY BYQFBFWERHXONI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60226820

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-03di-3900000000-b2eb3f73100c31c5e9cb
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  41 9.59 96
  43 11.87 119
  55 7.62 76
  57 8.21 82
  69 13.25 133
  73 9.59 96
  87 17.99 180
  88 11.57 116
  101 4.75 48
  102 6.63 66
  114 10.19 102
  115 24.51 245
  128 5.64 56
  129 8.61 86
  132 11.57 116
  133 25.5 255
  157 50.2 502
  158 3.96 40
  160 99.99 999
  161 7.42 74
  187 3.17 32
  202 0.91 9
//