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MassBank Record: WA000813

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

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

ACCESSION: WA000813
RECORD_TITLE: Flurazepam; 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$NAME: Flurazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H23ClFN3O
CH$EXACT_MASS: 387.15137
CH$SMILES: CCN(CC)CCN(C(=O)2)c(c3)c(cc(Cl)c3)C(=NC2)c(c1)c(F)ccc1
CH$IUPAC: InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3
CH$LINK: CAS 17617-23-1
CH$LINK: INCHIKEY SAADBVWGJQAEFS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1023071

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 13.700 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 60 V

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

PK$SPLASH: splash10-014i-0029000000-1ddaf67e226a2320b731
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  100 153 153
  101 12 12
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  143 24 24
  225 12 12
  244 8 8
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  289 43 43
  290 63 63
  291 12 12
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  317 494 494
  318 78 78
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  388 106 106
  389 20 20
  390 39 39
  391 8 8
//

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