MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005934
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
//