MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007970
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007970
RECORD_TITLE: TRIMETHADIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: TRIMETHADIONE
CH$NAME: 3,5,5-TRIMETHYL-2,4-OXAZOLIDINEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H9NO3
CH$EXACT_MASS: 143.05824
CH$SMILES: O=C(O1)N(C)C(=O)C(C)(C)1
CH$IUPAC: InChI=1S/C6H9NO3/c1-6(2)4(8)7(3)5(9)10-6/h1-3H3
CH$LINK: INCHIKEY
IRYJRGCIQBGHIV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9021396
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-0a4l-8900000000-43db0866b0f6797cbff6
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
56 6.77 68
57 4.99 50
58 89.83 898
59 24.45 245
69 1.03 10
70 6.15 62
100 4.46 45
115 2.16 22
127 1.31 13
128 31.86 319
129 1.85 19
143 99.99 999
144 7.34 73
//
system version 2.2.8-SNAPSHOT