ACCESSION: MSBNK-Keio_Univ-KO001344
RECORD_TITLE: 1-Methylhydantoin; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M016

CH$NAME: 1-Methylhydantoin
CH$NAME: N-Methylimidazolidine-2,4-dione
CH$NAME: N-Methylhydantoin
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₄H₆N₂O₂
CH$EXACT_MASS: 114.04293
CH$SMILES: O=C(C1)NC(=O)N(C)1
CH$IUPAC: InChI=1S/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8)
CH$LINK: CAS 616-04-6
CH$LINK: CHEBI 16354
CH$LINK: KEGG C02565
CH$LINK: NIKKAJI J100.995H
CH$LINK: PUBCHEM SID:5563
CH$LINK: INCHIKEY RHYBFKMFHLPQPH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90210595

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 113
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-03di-2900000000-a87a626fea21c2278151
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  42.300 361386.5 96
  45.000 24752.5 7
  59.000 529703.5 140
  69.200 163366.5 43
  98.700 29703.0 8
  111.800 14851.5 4
  113.100 3772281.0 999
//