ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006143
RECORD_TITLE: DIBUTYL OXALATE; 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$NAME: DIBUTYL OXALATE
CH$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: 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$SPLASH: splash10-0a4i-9000000000-0966cc8c142d5d1d01d0
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  29 33.76 338
  41 35.35 354
  42 1.43 14
  43 1.09 11
  55 3.69 37
  56 20.93 209
  57 99.99 999
  58 4.41 44
  102 1.21 12
  146 0.59 6
//