ACCESSION: MSBNK-Waters-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: 332.07278
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 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
  123 51 51
  166 20 20
  167 8 8
  168 8 8
  184 16 16
  186 8 8
  194 71 71
  195 8 8
  196 24 24
  212 24 24
  214 8 8
  246 31 31
  248 12 12
  260 20 20
  270 8 8
  276 12 12
  287 12 12
  289 16 16
  294 8 8
  303 8 8
  305 102 102
  306 16 16
  307 35 35
  315 82 82
  316 12 12
  317 27 27
  333 999 999
  334 145 145
  335 357 357
  336 55 55
  355 141 141
  356 16 16
  357 51 51
  358 8 8
  359 12 12
  371 24 24
  373 16 16
  396 16 16
  398 8 8
//