ACCESSION: MSBNK-Waters-WA001146
RECORD_TITLE: Carbamazepine; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Carbamazepine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₂N₂O
CH$EXACT_MASS: 236.09496
CH$SMILES: NC(=O)N(c21)c(c3)c(ccc3)C=Cc(cccc2)1
CH$IUPAC: InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
CH$LINK: CAS 298-46-4
CH$LINK: INCHIKEY FFGPTBGBLSHEPO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4022731

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 14.700 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

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

PK$SPLASH: splash10-0006-0900000000-91693360c7d0921cf8c2
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  116 24 24
  117 12 12
  152 51 51
  153 8 8
  165 137 137
  166 39 39
  167 90 90
  168 16 16
  176 12 12
  177 35 35
  178 27 27
  179 215 215
  180 27 27
  190 24 24
  191 78 78
  192 388 388
  193 474 474
  194 999 999
  195 125 125
  196 8 8
  259 16 16
//