MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007970

TRIMETHADIONE; EI-B; MS

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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

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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

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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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
//