ACCESSION: MSBNK-Waters-WA001286
RECORD_TITLE: Flunitrazepam; LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-03ei-0790000000-481cfbccea1981b54834
PK$NUM_PEAK: 109
PK$PEAK: m/z int. rel.int.
  103 8 8
  104 110 110
  105 24 24
  106 47 47
  107 47 47
  109 78 78
  115 12 12
  116 55 55
  117 78 78
  118 341 341
  119 306 306
  120 31 31
  122 39 39
  123 43 43
  129 27 27
  130 12 12
  131 24 24
  132 27 27
  133 16 16
  134 47 47
  135 8 8
  136 12 12
  142 8 8
  143 86 86
  144 31 31
  145 39 39
  146 24 24
  147 55 55
  148 12 12
  150 8 8
  151 27 27
  152 16 16
  153 8 8
  156 8 8
  157 16 16
  158 8 8
  159 16 16
  161 16 16
  163 12 12
  164 35 35
  165 215 215
  166 63 63
  167 16 16
  170 290 290
  171 71 71
  172 24 24
  173 16 16
  174 51 51
  175 12 12
  176 8 8
  177 20 20
  178 51 51
  179 31 31
  180 39 39
  181 8 8
  182 24 24
  183 690 690
  184 161 161
  185 98 98
  186 47 47
  187 8 8
  190 106 106
  191 78 78
  192 157 157
  193 71 71
  194 39 39
  195 31 31
  196 59 59
  197 219 219
  198 525 525
  199 94 94
  200 31 31
  201 12 12
  202 47 47
  203 20 20
  204 74 74
  205 309 309
  206 78 78
  207 8 8
  208 71 71
  209 59 59
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  212 521 521
  213 141 141
  214 24 24
  218 31 31
  219 239 239
  220 82 82
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  222 458 458
  223 294 294
  224 282 282
  225 204 204
  226 27 27
  227 110 110
  228 16 16
  237 86 86
  238 71 71
  239 999 999
  240 239 239
  241 20 20
  249 8 8
  252 8 8
  253 8 8
  267 20 20
  268 215 215
  269 31 31
  270 12 12
//