MassBank Record: WA002842



 7-Aminoflunitrazepam; LC-ESI-Q; MS; POS; 75 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002842
RECORD_TITLE: 7-Aminoflunitrazepam; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: , Nihon Waters K.K.
LICENSE: CC BY-NC

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$LINK: CAS 34084-50-9 CH$LINK: INCHIKEY LTCDLGUFORGHGY-UHFFFAOYSA-N
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 12.900 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$SPLASH: splash10-002r-0980000000-4f232c29297ac6192384 PK$NUM_PEAK: 87 PK$PEAK: m/z int. rel.int. 104 24 24 105 8 8 106 90 90 107 118 118 108 74 74 109 31 31 116 12 12 117 12 12 118 20 20 119 24 24 120 59 59 121 39 39 122 39 39 123 90 90 124 12 12 131 86 86 132 63 63 133 71 71 134 12 12 135 999 999 136 71 71 143 8 8 146 74 74 147 20 20 148 188 188 149 20 20 158 16 16 160 24 24 161 118 118 162 12 12 163 102 102 164 12 12 172 12 12 180 43 43 181 16 16 183 39 39 185 8 8 187 8 8 188 8 8 190 8 8 193 8 8 195 43 43 196 8 8 198 27 27 199 8 8 200 27 27 201 8 8 205 12 12 206 31 31 207 121 121 208 74 74 209 39 39 210 71 71 211 82 82 212 20 20 213 12 12 215 63 63 216 12 12 219 24 24 220 27 27 221 20 20 222 8 8 224 12 12 225 20 20 226 274 274 227 368 368 228 47 47 229 27 27 234 16 16 236 94 94 237 24 24 238 12 12 239 12 12 240 227 227 241 86 86 242 12 12 249 8 8 254 71 71 255 27 27 256 129 129 257 20 20 264 39 39 265 8 8 268 12 12 269 12 12 284 462 462 285 71 71 //