MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005934

OXALIC ACID DIBUTYL ESTER; CI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005934
RECORD_TITLE: OXALIC ACID DIBUTYL ESTER; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

---

CH$NAME: OXALIC ACID DIBUTYL ESTER
CH$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: 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$SPLASH: splash10-0002-3900000000-4f08cf67524f6e34f275
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  74 15.38 154
  75 8.77 88
  77 4.19 42
  79 3.8 38
  85 5.85 59
  87 13.83 138
  91 7.56 76
  101 13.77 138
  103 32.15 322
  131 15.5 155
  145 5.52 55
  147 99.99 999
  148 7.28 73
  157 1.58 16
  203 9.77 98
//