ACCESSION: MSBNK-Waters-WA002889
RECORD_TITLE: N-1-(Hydroxyethyl)flurazepam; LC-ESI-Q; MS; POS; 15 V, 30 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: 332.07278
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: INCHIKEY FOCBRQQHNOKOJQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10175152

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 15 V, 30 V

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

PK$SPLASH: splash10-001i-0009000000-729a0cacb40295426f41
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  303 8 8
  305 8 8
  333 999 999
  334 145 145
  335 345 345
  336 51 51
  355 90 90
  356 12 12
  357 31 31
  371 51 51
  373 24 24
  396 12 12
  398 8 8
//