MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005885
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005885
RECORD_TITLE: METHYL 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$NAME: METHYL OXALATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-066r-9000000000-8c01a94a9a877ce69f78
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
14 1.95 20
15 99.99 999
16 1.17 12
28 5.84 58
29 18.29 183
30 4.47 45
31 6.61 66
33 1.36 14
43 4.09 41
44 3.7 37
45 32.3 323
59 93.19 932
60 3.31 33
91 0.58 6
118 3.89 39
//