ACCESSION: MSBNK-Waters-WA001739
RECORD_TITLE: 10-Methoxycarbamazepine; LC-ESI-Q; MS; POS; 75 V, 90 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 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
//