MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007977
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007977
RECORD_TITLE: TRIMETHADION; CI-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$NAME: TRIMETHADION
CH$NAME: 1,3,3-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$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE
PK$SPLASH: splash10-0006-1900000000-5560efcfc7260e1dcfef
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
57 2.06 21
58 2.35 24
59 7.56 76
69 1.11 11
70 1.25 13
73 1.57 16
82 1.4 14
100 4.85 49
143 1.47 15
144 99.99 999
145 7.31 73
172 4.61 46
184 3.36 34
//
system version 2.2.8-SNAPSHOT