MassBank Record: MSBNK-Keio_Univ-KO001345
ACCESSION: MSBNK-Keio_Univ-KO001345
RECORD_TITLE: 1-Methylhydantoin; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 113
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9200000000-92124f86d92c2993b429
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
41.900 658416.5 999
59.000 232673.5 353
113.000 198020.0 300
//