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MassBank Record: MSBNK-Waters-WA000889

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

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

ACCESSION: MSBNK-Waters-WA000889
RECORD_TITLE: Norclobazam; 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$NAME: Norclobazam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H11ClN2O2
CH$EXACT_MASS: 286.05091
CH$SMILES: O=C(C2)Nc(c3)c(cc(Cl)c3)N(C(=O)2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H11ClN2O2/c16-10-6-7-12-13(8-10)18(11-4-2-1-3-5-11)15(20)9-14(19)17-12/h1-8H,9H2,(H,17,19)
CH$LINK: CAS 22316-55-8
CH$LINK: INCHIKEY RRTVVRIFVKKTJK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40176859

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 15.400 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$SPLASH: splash10-0002-0090000000-d1183ebd84a297e018c2
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  105 16 16
  167 12 12
  210 110 110
  211 24 24
  219 16 16
  245 999 999
  246 82 82
  247 357 357
  248 31 31
  269 8 8
  286 8 8
  287 137 137
  288 20 20
  289 43 43
  309 63 63
  310 8 8
  311 20 20
  325 8 8
  350 24 24
  352 8 8
//

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