MassBank Record: WA001740



 10-Methoxycarbamazepine; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001740
RECORD_TITLE: 10-Methoxycarbamazepine; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: , Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: 10-Methoxycarbamazepine CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H14N2O2 CH$EXACT_MASS: 266.10553 CH$SMILES: COC(=C1)c(c3)c(ccc3)N(C(N)=O)c(c2)c(ccc2)1 CH$IUPAC: InChI=1S/C16H14N2O2/c1-20-15-10-11-6-2-4-8-13(11)18(16(17)19)14-9-5-3-7-12(14)15/h2-10H,1H3,(H2,17,19) CH$LINK: CAS 28721-09-7 CH$LINK: INCHIKEY PIZOFBKQWNPKDK-UHFFFAOYSA-N
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 15.350 min AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00dl-0790000000-df5466a7357e27cffc8d PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 165 172 172 166 31 31 167 8 8 179 67 67 180 454 454 181 67 67 182 12 12 192 133 133 193 717 717 194 227 227 195 31 31 204 20 20 207 16 16 208 27 27 209 74 74 210 12 12 221 8 8 222 999 999 223 176 176 224 631 631 225 102 102 226 8 8 249 12 12 250 43 43 267 35 35 289 153 153 290 31 31 //