ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007869
RECORD_TITLE: DIETHYL PROPYLMALONATE; 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$NAME: DIETHYL PROPYLMALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₄
CH$EXACT_MASS: 202.12051
CH$SMILES: CCCC(C(=O)OCC)C(=O)OCC
CH$IUPAC: InChI=1S/C10H18O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY GRRSDGHTSMJICM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60176018

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$SPLASH: splash10-0nn9-3900000000-f638847d9be48e3c2664
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  43 13.64 136
  45 9.59 96
  55 24.32 243
  60 7.91 79
  73 28.07 281
  74 2.18 22
  83 18.39 184
  88 12.76 128
  99 8.31 83
  101 51.19 512
  102 1.98 20
  114 10.29 103
  115 9.89 99
  127 7.12 71
  129 7.91 79
  132 11.08 111
  133 26 260
  157 50 500
  158 5.84 58
  160 99.99 999
  173 9.69 97
  174 1.79 18
//