ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010835
RECORD_TITLE: DIISOPROPYL MALONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: DIISOPROPYL MALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆O₄
CH$EXACT_MASS: 188.10486
CH$SMILES: CC(C)OC(=O)CC(=O)OC(C)C
CH$IUPAC: InChI=1S/C9H16O4/c1-6(2)12-8(10)5-9(11)13-7(3)4/h6-7H,5H2,1-4H3
CH$LINK: INCHIKEY QRVSDVDFJFKYKA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10157276

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a6u-9700000000-e219491276cfd3685cc6
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 2.3 23
  28 1.2 12
  41 6.4 64
  42 0.47 5
  43 99.99 999
  44 3.5 35
  45 12 120
  57 0.29 3
  59 43.4 434
  60 22.7 227
  61 2.9 29
  69 0.15 2
  87 54.5 545
  88 2 20
  102 19.8 198
  103 0.15 2
  105 72 720
  106 2.6 26
  111 28 280
  112 0.2 2
  118 4.7 47
  129 63.8 638
  130 4.7 47
  131 0.82 8
  146 2.3 23
  147 10.2 102
  159 1.2 12
  172 4.7 47
//