ACCESSION: MSBNK-Waters-WA000814
RECORD_TITLE: 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$NAME: Flurazepam
CH$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 45 V

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

PK$SPLASH: splash10-014i-0009000000-18bb3432feeb19e12efd
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  100 67 67
  143 39 39
  288 82 82
  289 12 12
  290 27 27
  315 999 999
  316 133 133
  317 760 760
  318 110 110
  319 137 137
  320 20 20
  333 12 12
  388 897 897
  389 172 172
  390 337 337
  391 63 63
  406 8 8
//