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MassBank Record: WA000721

Oxcarbazepine; LC-ESI-Q; MS; POS; 60 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA000721
RECORD_TITLE: Oxcarbazepine; 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$NAME: Oxcarbazepine
CH$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 60 V

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

PK$SPLASH: splash10-053r-0980000000-489fe8ad96b0e2dae642
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  104 8 8
  120 12 12
  132 31 31
  146 16 16
  165 43 43
  167 67 67
  168 8 8
  180 964 964
  181 137 137
  182 349 349
  183 35 35
  192 20 20
  193 12 12
  195 12 12
  196 8 8
  208 999 999
  209 133 133
  210 270 270
  211 35 35
  236 200 200
  237 24 24
  253 12 12
  275 24 24
  291 8 8
//

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