MassBank Record: AU228202

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10,11-Dihydro-10-Hydroxycarbazepine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
Mass Spectrum
Chemical Structure
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ACCESSION: AU228202
RECORD_TITLE: 10,11-Dihydro-10-Hydroxycarbazepine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
DATE: 2018.12.19
AUTHORS: Nikiforos Alygizakis, Katerina Galani, Nikolaos Thomaidis, University of Athens
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2018 Department of Chemistry, University of Athens
COMMENT: CONFIDENCE standard compound
COMMENT: INTERNAL_ID 2282

CH$NAME: 10,11-Dihydro-10-Hydroxycarbazepine CH$NAME: Licarbazepine CH$NAME: 5-hydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide CH$COMPOUND_CLASS: N/A; Environmental Standard CH$FORMULA: C15H14N2O2 CH$EXACT_MASS: 254.1055277 CH$SMILES: c1ccc2c(c1)CC(c3ccccc3N2C(=O)N)O CH$IUPAC: InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19) CH$LINK: CAS 29331-92-8 CH$LINK: CHEBI 701 CH$LINK: KEGG C07493 CH$LINK: PUBCHEM CID:114709 CH$LINK: INCHIKEY BMPDWHIDQYTSHX-UHFFFAOYSA-N CH$LINK: CHEMSPIDER 102704 CH$LINK: COMPTOX DTXSID50865484
AC$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 20 eV AC$MASS_SPECTROMETRY: RESOLUTION 35000 AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo AC$CHROMATOGRAPHY: FLOW_GRADIENT 99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min at 0-3 min, 400 uL/min at 14 min, 480 uL/min at 16-19 min, 200 uL/min at 19.1-20 min AC$CHROMATOGRAPHY: RETENTION_TIME 6.057 min AC$CHROMATOGRAPHY: SOLVENT A 90:10 water:methanol with 0.01% formic acid and 5mM ammonium formate AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.01% formic acid and 5mM ammonium formate
MS$FOCUSED_ION: BASE_PEAK 372.158 MS$FOCUSED_ION: PRECURSOR_M/Z 255.1128 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: RECALIBRATE identity on assigned fragments and MS1 MS$DATA_PROCESSING: WHOLE RMassBank 2.10.0
PK$SPLASH: splash10-0006-0930000000-d43c84f3a68c7b03839a PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm) 192.0795 C14H10N+ 1 192.0808 -6.64 193.0849 C13[13]CH10N+ 1 193.0847 1.04 194.0953 C14H12N+ 1 194.0964 -6.03 195.0984 C13[13]CH12N+ 1 195.1003 -9.68 196.1013 C12[13]C2H12N+ 1 196.1037 -12.22 220.0742 C15H10NO+ 1 220.0757 -6.69 237.1014 C15H13N2O+ 1 237.1022 -3.58 238.1048 C14[13]CH13N2O+ 1 238.1061 -5.56 239.1064 C13[13]C2H13N2O+ 1 239.1095 -12.79 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 192.0795 47056 123 193.0849 10916 28 194.0953 381800 999 195.0984 47432 124 196.1013 4012 10 220.0742 7108 18 237.1014 138724 362 238.1048 21720 56 239.1064 2300 6 //