ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009005
RECORD_TITLE: DIBUTYL MALONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: DIBUTYL MALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₄
CH$EXACT_MASS: 216.13616
CH$SMILES: CCCCOC(=O)CC(=O)OCCCC
CH$IUPAC: InChI=1S/C11H20O4/c1-3-5-7-14-10(12)9-11(13)15-8-6-4-2/h3-9H2,1-2H3
CH$LINK: CAS 1190-39-2
CH$LINK: COMPTOX DTXSID30152288
CH$LINK: INCHIKEY NFKGQHYUYGYHIS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:136925

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a4i-9300000000-1f00b573142085b01e28
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  29 26.1 261
  30 1.01 10
  31 10.57 106
  39 10.59 106
  41 46.7 467
  42 22.08 221
  43 17.16 172
  44 1.99 20
  45 1.37 14
  53 1.11 11
  55 10.1 101
  56 51.77 518
  57 76.96 770
  58 2.6 26
  60 4.87 49
  61 1.89 19
  69 3.6 36
  71 2.75 28
  72 1.65 17
  73 3.98 40
  83 2.45 25
  87 36.51 365
  88 1.18 12
  105 99.99 999
  106 3.13 31
  116 1.01 10
  143 26.71 267
  144 1.87 19
  161 5.67 57
//