ACCESSION: MSBNK-Waters-WA002811
RECORD_TITLE: Norfludiazepam; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Norfludiazepam
CH$NAME: Desalkylflurazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₀ClFN₂O
CH$EXACT_MASS: 288.04657
CH$SMILES: O=C(C2)Nc(c3)c(cc(Cl)c3)C(=N2)c(c1)c(F)ccc1
CH$IUPAC: InChI=1S/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)
CH$LINK: CAS 2886-65-9
CH$LINK: INCHIKEY UVCOILFBWYKHHB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30183057

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 17.900 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$SPLASH: splash10-0006-0970000000-b9c860d9296e94f7e685
PK$NUM_PEAK: 82
PK$PEAK: m/z int. rel.int.
  104 43 43
  105 51 51
  106 8 8
  109 196 196
  110 8 8
  113 51 51
  115 12 12
  118 27 27
  122 31 31
  123 39 39
  124 27 27
  126 12 12
  130 31 31
  131 8 8
  133 24 24
  134 47 47
  136 12 12
  138 43 43
  140 999 999
  141 35 35
  142 341 341
  143 20 20
  150 43 43
  152 8 8
  154 12 12
  158 59 59
  162 12 12
  163 16 16
  165 274 274
  166 114 114
  167 106 106
  168 51 51
  170 12 12
  177 16 16
  179 59 59
  180 8 8
  181 59 59
  183 35 35
  191 12 12
  193 16 16
  196 8 8
  197 8 8
  198 43 43
  199 20 20
  205 47 47
  206 180 180
  207 31 31
  208 16 16
  209 27 27
  210 8 8
  211 86 86
  212 16 16
  214 215 215
  215 20 20
  216 71 71
  217 16 16
  224 16 16
  225 74 74
  226 639 639
  227 86 86
  228 16 16
  232 31 31
  234 39 39
  235 8 8
  236 24 24
  237 12 12
  241 20 20
  244 20 20
  245 24 24
  246 8 8
  247 8 8
  254 8 8
  259 31 31
  260 39 39
  261 110 110
  262 20 20
  263 27 27
  271 12 12
  289 400 400
  290 55 55
  291 145 145
  292 16 16
//