ACCESSION: MSBNK-Waters-WA000812
RECORD_TITLE: Flurazepam; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-014i-0389000000-297a488b72559c3cc796
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
  100 259 259
  101 20 20
  109 110 110
  115 20 20
  123 12 12
  125 8 8
  130 8 8
  131 59 59
  134 20 20
  143 12 12
  150 27 27
  152 8 8
  162 8 8
  164 8 8
  166 39 39
  168 12 12
  180 8 8
  184 8 8
  191 27 27
  193 12 12
  194 12 12
  209 16 16
  211 12 12
  216 8 8
  217 8 8
  223 12 12
  224 20 20
  225 121 121
  226 16 16
  235 8 8
  236 43 43
  237 16 16
  244 78 78
  245 31 31
  246 39 39
  247 12 12
  251 12 12
  252 20 20
  253 59 59
  254 8 8
  258 35 35
  259 55 55
  260 125 125
  261 31 31
  262 35 35
  267 12 12
  271 86 86
  272 133 133
  273 55 55
  274 43 43
  275 8 8
  280 12 12
  285 35 35
  287 176 176
  288 149 149
  289 102 102
  290 55 55
  291 16 16
  295 16 16
  297 8 8
  304 8 8
  312 8 8
  315 999 999
  316 153 153
  317 400 400
  318 63 63
  319 20 20
  388 82 82
  389 12 12
  390 31 31
//