MassBank Record: WA002841



 7-Aminoflunitrazepam; LC-ESI-Q; MS; POS; 90 V 
Mass Spectrum
Chemical Structure
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ACCESSION: WA002841
RECORD_TITLE: 7-Aminoflunitrazepam; 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: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: 7-Aminoflunitrazepam CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H14FN3O CH$EXACT_MASS: 283.11209 CH$SMILES: Nc(c3)cc(c(c3)2)C(=NCC(=O)N(C)2)c(c1)c(F)ccc1 CH$IUPAC: InChI=1S/C16H14FN3O/c1-20-14-7-6-10(18)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)17/h2-8H,9,18H2,1H3 CH$LINK: CAS 34084-50-9
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 12.900 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0553-0960000000-5a96841a860d9bbce190 PK$NUM_PEAK: 122 PK$PEAK: m/z int. rel.int. 102 27 27 104 208 208 105 71 71 106 325 325 107 388 388 108 251 251 109 118 118 110 8 8 116 47 47 117 59 59 118 102 102 119 141 141 120 176 176 121 71 71 122 129 129 123 78 78 124 12 12 130 27 27 131 200 200 132 153 153 133 149 149 134 47 47 135 999 999 136 94 94 143 27 27 144 74 74 145 31 31 146 176 176 147 51 51 148 161 161 149 27 27 150 8 8 151 8 8 152 16 16 153 39 39 154 8 8 157 8 8 158 39 39 159 12 12 160 39 39 161 129 129 162 31 31 163 63 63 164 8 8 165 20 20 166 20 20 167 31 31 168 24 24 170 8 8 171 16 16 172 27 27 173 8 8 174 31 31 178 24 24 179 24 24 180 129 129 181 59 59 182 8 8 183 161 161 184 27 27 185 43 43 186 12 12 187 16 16 188 16 16 190 35 35 191 16 16 192 27 27 193 24 24 194 31 31 195 98 98 196 20 20 198 145 145 199 35 35 200 59 59 201 12 12 205 59 59 206 98 98 207 137 137 208 86 86 209 102 102 210 114 114 211 235 235 212 82 82 213 63 63 214 16 16 215 63 63 216 16 16 218 8 8 219 43 43 220 129 129 221 67 67 222 31 31 223 39 39 224 35 35 225 74 74 226 525 525 227 345 345 228 43 43 229 20 20 234 27 27 235 12 12 236 63 63 237 12 12 238 59 59 239 31 31 240 623 623 241 141 141 242 16 16 249 8 8 250 8 8 251 8 8 252 8 8 254 71 71 255 35 35 256 59 59 257 8 8 264 16 16 268 20 20 269 8 8 284 357 357 285 55 55 322 12 12 //