MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006047
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006047
RECORD_TITLE: DIMETHYL OXALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: DIMETHYL OXALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H6O4
CH$EXACT_MASS: 118.02661
CH$SMILES: COC(=O)C(=O)OC
CH$IUPAC: InChI=1S/C4H6O4/c1-7-3(5)4(6)8-2/h1-2H3
CH$LINK: INCHIKEY
LOMVENUNSWAXEN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9060287
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-9000000000-93c51115c65d53576426
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
15 32.01 320
29 3.1 31
33 1.07 11
43 4.62 46
45 29.58 296
59 99.99 999
60 3.76 38
118 4.36 44
//