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MassBank Record: WA001304

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

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

ACCESSION: WA001304
RECORD_TITLE: Clobazam; 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$NAME: Clobazam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H13ClN2O2
CH$EXACT_MASS: 300.06656
CH$SMILES: Clc(c3)cc(c(c3)2)N(C(=O)CC(=O)N(C)2)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3
CH$LINK: CAS 22316-47-8
CH$LINK: INCHIKEY CXOXHMZGEKVPMT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2046759

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 16.400 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$SPLASH: splash10-0a4i-0090000000-035719e84600c5a5eae6
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  181 12 12
  183 8 8
  218 12 12
  224 129 129
  225 16 16
  233 8 8
  240 16 16
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  259 999 999
  260 118 118
  261 357 357
  262 43 43
  301 51 51
  302 8 8
  303 16 16
  323 8 8
  339 12 12
//

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