MassBank Record: KO001343

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1-Methylhydantoin; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO001343
RECORD_TITLE: 1-Methylhydantoin; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-03di-0900000000-80d31223555bd671d61a
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  58.800 267327.0 17
  68.800 84158.5 5
  82.900 400990.5 25
  99.200 549505.5 35
  111.700 19802.0 1
  113.000 15712887.0 999
//