MassBank Record: AU223109



 1,3-Dimethyl-2-imidazolidinon; LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: AU223109
RECORD_TITLE: 1,3-Dimethyl-2-imidazolidinon; LC-ESI-QTOF; MS2; HILIC; CE: 30 eV; R=35000; [M+H]+
DATE: 2016.02.26
AUTHORS: , Nikiforos Alygizakis, Nikolaos Thomaidis, University of Athens
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2016 Department of Chemistry, University of Athens
COMMENT: CONFIDENCE standard compound
COMMENT: INTERNAL_ID 2231

CH$NAME: 1,3-Dimethyl-2-imidazolidinon CH$NAME: 1,3-Dimethyl-2-imidazolidinone CH$NAME: 1,3-dimethylimidazolidin-2-one CH$COMPOUND_CLASS: N/A; Environmental Standard CH$FORMULA: C5H10N2O CH$EXACT_MASS: 114.0793129 CH$SMILES: CN1CCN(C1=O)C CH$IUPAC: InChI=1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3 CH$LINK: CAS 80-73-9 CH$LINK: PUBCHEM CID:6661 CH$LINK: INCHIKEY CYSGHNMQYZDMIA-UHFFFAOYSA-N CH$LINK: CHEMSPIDER 6409 CH$LINK: COMPTOX DTXSID1073153
AC$INSTRUMENT: Bruker maXis Impact AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV AC$MASS_SPECTROMETRY: RESOLUTION 35000 AC$CHROMATOGRAPHY: COLUMN_NAME ACQUITY UPLC BEH Amide 1.7 um 2.1x100 mm, Waters AC$CHROMATOGRAPHY: FLOW_GRADIENT 0/100 at 0-2 min, 95/5 at 12 min, 95/5 at 17 min, 0/100 at 17.1, 0/100 at 25 min AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min AC$CHROMATOGRAPHY: RETENTION_TIME 1.716 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.01% formic acid and 1mM ammonium formate AC$CHROMATOGRAPHY: SOLVENT B Acetonitrile:Water 95:5 with 0.01 formic acid and 1mM ammonium formate
MS$FOCUSED_ION: BASE_PEAK 151.0331 MS$FOCUSED_ION: PRECURSOR_M/Z 115.0866 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: RECALIBRATE identity on assigned fragments and MS1 MS$DATA_PROCESSING: WHOLE RMassBank 1.99.10
PK$SPLASH: splash10-014i-0900000000-f2aabd31ecc8afcb9ab8 PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm) 115.0869 C5H11N2O+ 1 115.0866 2.75 PK$NUM_PEAK: 1 PK$PEAK: m/z int. rel.int. 115.0869 308 999 //