MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005868
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005868
RECORD_TITLE: DIBUTYL OXALATE; EI-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$NAME: DIBUTYL OXALATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9000000000-435ac582c9d39d071d47
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
27 8.22 82
28 4.22 42
29 41.56 416
31 1.33 13
39 4.44 44
41 37.78 378
42 2.22 22
43 2.67 27
55 5.56 56
56 21.78 218
57 99.99 999
58 4.44 44
101 1.11 11
102 2.22 22
147 1.33 13
//