ACCESSION: MSBNK-RIKEN_ReSpect-PT101850
RECORD_TITLE: 2-Imino-1-methylimidazolidin-4-one, Creatinine,anhydrous, 2-Amino-1-methylimidazolidin-4-one, 2-amino-1-methyl-5H-imidazol-4-one, 1-methylhydantoin-2-imide, 2-Imino-N-methylhydantoin, 2-amino-1-methyl-4-imidazolidinone, 1-Methylglycocyamidine; LC-ESI-QTOF; MS2
DATE: 2008.07.25
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: 2-Imino-1-methylimidazolidin-4-one
CH$NAME: Creatinine,anhydrous
CH$NAME: 2-Amino-1-methylimidazolidin-4-one
CH$NAME: 2-amino-1-methyl-5H-imidazol-4-one
CH$NAME: 1-methylhydantoin-2-imide
CH$NAME: 2-Imino-N-methylhydantoin
CH$NAME: 2-amino-1-methyl-4-imidazolidinone
CH$NAME: 1-Methylglycocyamidine
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Creatinine
CH$FORMULA: C₄H₇N₃O
CH$EXACT_MASS: 113.12
CH$SMILES: CN1CC(=O)N=C1N
CH$IUPAC: InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)
CH$LINK: CAS 60-27-5
CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 114.06671

PK$SPLASH: splash10-03di-0900000000-844659480059fd60d69f
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
114.0062 14.61 18
114.0667 826.5 999
//