MassBank Record: WA001739



 10-Methoxycarbamazepine; LC-ESI-Q; MS; POS; 75 V, 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001739
RECORD_TITLE: 10-Methoxycarbamazepine; LC-ESI-Q; MS; POS; 75 V, 90 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$CHROMATOGRAPHY: SAMPLING_CONE 75 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-000x-0920000000-f2295355b54c28f5c2d4 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 132 8 8 152 12 12 153 12 12 165 306 306 166 51 51 167 39 39 177 8 8 179 290 290 180 787 787 181 137 137 190 12 12 191 43 43 192 133 133 193 999 999 194 239 239 195 31 31 196 12 12 204 24 24 207 20 20 208 55 55 209 74 74 210 12 12 220 12 12 221 12 12 222 313 313 223 51 51 224 106 106 225 12 12 289 16 16 //