ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006211
RECORD_TITLE: DIBUTYL OXALATE; CI-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$NAME: DIBUTYL OXALATE
CH$NAME: OXALIC ACID DIBUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₄
CH$EXACT_MASS: 202.12051
CH$SMILES: CCCCOC(=O)C(=O)OCCCC
CH$IUPAC: InChI=1S/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H3
CH$LINK: INCHIKEY JKRZOJADNVOXPM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7041916

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-0udj-0980000000-cf2f5959f50d6a62694e
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  131 15.1 151
  132 1 10
  147 92.2 922
  148 6.41 64
  203 99.99 999
  204 11.44 114
  205 1.52 15
//