MassBank Record: WA001148



 Carbamazepine; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001148
RECORD_TITLE: Carbamazepine; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: , Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Carbamazepine CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H12N2O CH$EXACT_MASS: 236.09496 CH$SMILES: NC(=O)N(c21)c(c3)c(ccc3)C=Cc(cccc2)1 CH$IUPAC: InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18) CH$LINK: CAS 298-46-4 CH$LINK: INCHIKEY FFGPTBGBLSHEPO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4022731
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: RETENTION_TIME 14.700 min AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-000f-0950000000-12b19be8388337c4471b PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 192 172 172 193 20 20 194 999 999 195 125 125 196 8 8 220 27 27 237 611 611 238 86 86 239 8 8 259 125 125 260 16 16 300 12 12 //

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