MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008395
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008395
RECORD_TITLE: DIETHYL OXALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: DIETHYL OXALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10O4
CH$EXACT_MASS: 146.05791
CH$SMILES: CCOC(=O)C(=O)OCC
CH$IUPAC: InChI=1S/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H3
CH$LINK: CAS
95-92-1
CH$LINK: INCHIKEY
WYACBZDAHNBPPB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2044472
AC$INSTRUMENT: HITACHI M-80B
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: splash10-004i-9000000000-238f3b87595cb2cf3c68
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
15 1.35 14
26 2.23 22
27 19.84 198
28 9.31 93
29 99.99 999
30 4.87 49
31 13.08 131
43 5.02 50
45 13.45 135
46 1.07 11
56 1.22 12
57 1.77 18
59 1.1 11
73 2.09 21
74 10.45 105
75 1.74 17
//
system version 2.2.6-SNAPSHOT