MassBank Record: WA002888

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N-1-(Hydroxyethyl)flurazepam; LC-ESI-Q; MS; POS; 45 V

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

ACCESSION: WA002888
RECORD_TITLE: N-1-(Hydroxyethyl)flurazepam; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: N-1-(Hydroxyethyl)flurazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H14ClFN2O2
CH$EXACT_MASS: 332.07278000000002293745637871325016021728515625
CH$SMILES: OCCN(C(=O)2)c(c3)c(cc(Cl)c3)C(=NC2)c(c1)c(F)ccc1
CH$IUPAC: InChI=1S/C17H14ClFN2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)20-10-16(23)21(15)7-8-22/h1-6,9,22H,7-8,10H2
CH$LINK: CAS 20971-53-3
CH$LINK: COMPTOX DTXSID10175152
CH$LINK: INCHIKEY FOCBRQQHNOKOJQ-UHFFFAOYSA-N

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: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: RETENTION_TIME 15.400 min
AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V

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

PK$SPLASH: splash10-001i-0109000000-6167edb4a4078f8a9778
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  109 86 86
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//