ACCESSION: MSBNK-Waters-WA001288
RECORD_TITLE: Flunitrazepam; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Flunitrazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₂FN₃O₃
CH$EXACT_MASS: 313.08627
CH$SMILES: O=N(=O)c(c3)cc(c(c3)2)C(=NCC(=O)N(C)2)c(c1)c(F)ccc1
CH$IUPAC: InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
CH$LINK: CAS 1622-62-4
CH$LINK: INCHIKEY PPTYJKAXVCCBDU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7023065

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 16.100 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 60 V

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

PK$SPLASH: splash10-014i-0192000000-aa968f20b3556549185d
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  107 16 16
  109 24 24
  119 47 47
  123 24 24
  143 8 8
  144 8 8
  145 8 8
  147 27 27
  165 39 39
  172 8 8
  183 20 20
  184 8 8
  190 8 8
  191 12 12
  193 20 20
  197 20 20
  198 12 12
  199 16 16
  205 12 12
  210 35 35
  211 74 74
  212 31 31
  213 20 20
  219 8 8
  220 8 8
  221 16 16
  222 8 8
  225 20 20
  227 35 35
  228 35 35
  239 145 145
  240 317 317
  241 27 27
  255 8 8
  256 16 16
  257 39 39
  267 12 12
  268 999 999
  269 153 153
  270 24 24
  283 16 16
  284 8 8
  286 78 78
  287 12 12
  314 490 490
  315 86 86
  316 8 8
//