MassBank Record: JP005934



 OXALIC ACID DIBUTYL ESTER; CI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP005934
RECORD_TITLE: OXALIC ACID DIBUTYL ESTER; CI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: YAMAMOTO MDEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV., 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
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 //