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MassBank Record: WA000699

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

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

ACCESSION: WA000699
RECORD_TITLE: Prazepam; 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$NAME: Prazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H17ClN2O
CH$EXACT_MASS: 324.10294
CH$SMILES: Clc(c3)cc(C=1c(c4)cccc4)c(c3)N(CC(C2)C2)C(=O)CN1
CH$IUPAC: InChI=1S/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)21-11-18(23)22(17)12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2
CH$LINK: CAS 2955-38-6
CH$LINK: INCHIKEY MWQCHHACWWAQLJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021181

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 18.800 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$SPLASH: splash10-00di-0190000000-abe5689d5cd4e8e73bc9
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  105 27 27
  106 8 8
  117 8 8
  140 90 90
  142 24 24
  158 8 8
  159 8 8
  165 47 47
  166 12 12
  167 16 16
  168 16 16
  180 8 8
  193 27 27
  207 8 8
  208 55 55
  209 8 8
  218 8 8
  219 12 12
  226 20 20
  227 16 16
  228 20 20
  229 8 8
  233 12 12
  238 12 12
  240 8 8
  241 16 16
  243 86 86
  244 12 12
  245 24 24
  253 8 8
  255 59 59
  256 12 12
  257 20 20
  268 20 20
  271 999 999
  272 149 149
  273 388 388
  274 51 51
  297 12 12
  325 141 141
  326 24 24
  327 47 47
  328 8 8
//

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