ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010834
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-052f-9300000000-a9a97bb2b4a68d7c233b
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  15 2.5 25
  27 12.6 126
  28 1.7 17
  29 0.17 2
  31 1.7 17
  39 5.9 59
  40 1.3 13
  41 1.76 18
  42 11.8 118
  43 99.99 999
  44 3.4 34
  45 1.18 12
  57 1.7 17
  59 25.6 256
  60 14.3 143
  61 0.17 2
  69 2.1 21
  87 37 370
  88 1.7 17
  102 0.97 10
  105 32.4 324
  106 1.3 13
  111 14.7 147
  118 0.21 2
  129 29.4 294
  130 2.1 21
  131 3.8 38
  147 0.46 5
  172 2.1 21
//