ACCESSION: MSBNK-Waters-WA001741
RECORD_TITLE: 10-Methoxycarbamazepine; LC-ESI-Q; MS; POS; 45 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 45 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-01b9-0190000000-60c7bc445327b19d12d6
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  103 39 39
  110 20 20
  112 8 8
  114 8 8
  117 12 12
  121 43 43
  123 12 12
  132 12 12
  133 8 8
  139 12 12
  145 8 8
  165 35 35
  166 16 16
  167 16 16
  179 8 8
  193 215 215
  194 20 20
  196 31 31
  210 12 12
  222 110 110
  223 129 129
  224 521 521
  225 247 247
  226 78 78
  227 20 20
  230 8 8
  233 24 24
  236 35 35
  250 325 325
  251 82 82
  254 16 16
  257 8 8
  265 24 24
  267 999 999
  268 227 227
  281 63 63
  289 509 509
  290 110 110
  291 24 24
  306 8 8
  307 16 16
  315 8 8
//