MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003401
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003401
RECORD_TITLE: 4-METHYL-1,3-DIOXOLANE-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: 4-METHYL-1,3-DIOXOLANE-2-ONE
CH$NAME: PROPYLENE CARBONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H6O3
CH$EXACT_MASS: 102.03169
CH$SMILES: CC(C1)OC(=O)O1
CH$IUPAC: InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3
CH$LINK: INCHIKEY
RUOJZAUFBMNUDX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2026789
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4l-9000000000-18e02e495db2291267aa
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
43 93.9 939
44 6.9 69
45 3.5 35
56 99.99 999
57 9.2 92
58 7.4 74
87 9.6 96
102 0.67 7
103 11.9 119
//