MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006169
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006169
RECORD_TITLE: DIMETHYL CARBONATE; 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$NAME: DIMETHYL CARBONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H6O3
CH$EXACT_MASS: 90.03169
CH$SMILES: COC(=O)OC
CH$IUPAC: InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3
CH$LINK: INCHIKEY
IEJIGPNLZYLLBP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9029192
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$SPLASH: splash10-015a-9000000000-e030547c5837144d9201
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
15 99.99 999
16 2.22 22
29 31.27 313
30 2.99 30
31 78.13 781
33 13.64 136
45 87.61 876
46 1.77 18
47 2.05 21
59 38.81 388
60 4.9 49
61 2.93 29
62 3.96 40
90 3.5 35
91 1.82 18
//
system version 2.2.6-SNAPSHOT