MassBank Record: WA001146



 Carbamazepine; LC-ESI-Q; MS; POS; 75 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001146
RECORD_TITLE: Carbamazepine; LC-ESI-Q; MS; POS; 75 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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0006-0900000000-91693360c7d0921cf8c2 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 116 24 24 117 12 12 152 51 51 153 8 8 165 137 137 166 39 39 167 90 90 168 16 16 176 12 12 177 35 35 178 27 27 179 215 215 180 27 27 190 24 24 191 78 78 192 388 388 193 474 474 194 999 999 195 125 125 196 8 8 259 16 16 //

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