ACCESSION: MSBNK-Waters-WA000720
RECORD_TITLE: Oxcarbazepine; 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$NAME: Oxcarbazepine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₂N₂O₂
CH$EXACT_MASS: 252.08988
CH$SMILES: NC(=O)N(c21)c(c3)c(ccc3)C(O)=Cc(cccc2)1
CH$IUPAC: InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-9,18H,(H2,16,19)
CH$LINK: CAS 28721-07-5
CH$LINK: INCHIKEY WRIZWKOAYKZGHB-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 13.800 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$SPLASH: splash10-001i-0910000000-fd8031830a2f575343f6
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  104 16 16
  117 8 8
  128 8 8
  132 20 20
  152 24 24
  153 16 16
  154 8 8
  165 59 59
  166 8 8
  167 137 137
  168 16 16
  178 20 20
  179 31 31
  180 999 999
  181 137 137
  182 137 137
  183 16 16
  190 8 8
  191 8 8
  192 12 12
  193 16 16
  195 24 24
  208 168 168
  209 27 27
  210 43 43
  236 8 8
  275 8 8
  291 8 8
//