ACCESSION: MSBNK-Waters-WA001740
RECORD_TITLE: 10-Methoxycarbamazepine; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 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
CH$LINK: COMPTOX DTXSID90182884

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
//