MassBank Record: WA002900



 3-Hydroxybromazepam; LC-ESI-Q; MS; POS; 75 V, 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002900
RECORD_TITLE: 3-Hydroxybromazepam; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: , Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: 3-Hydroxybromazepam CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H10BrN3O2 CH$EXACT_MASS: 330.99564 CH$SMILES: O=C(N1)C(O)N=C(c(c3)nccc3)c(c2)c(ccc(Br)2)1 CH$IUPAC: InChI=1S/C14H10BrN3O2/c15-8-4-5-10-9(7-8)12(11-3-1-2-6-16-11)18-14(20)13(19)17-10/h1-7,14,20H,(H,17,19) CH$LINK: CAS 13132-73-5 CH$LINK: INCHIKEY URRUSNGCYBXNLO-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 13.000 min AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0971000000-69558d72934bb3e9d3ae PK$NUM_PEAK: 91 PK$PEAK: m/z int. rel.int. 105 999 999 106 317 317 109 8 8 110 16 16 114 16 16 115 12 12 118 20 20 119 39 39 120 12 12 121 39 39 123 12 12 124 20 20 125 8 8 128 8 8 129 16 16 133 27 27 140 8 8 142 12 12 145 16 16 147 12 12 154 8 8 155 12 12 156 8 8 168 8 8 169 16 16 172 43 43 174 43 43 179 78 78 180 67 67 181 82 82 182 298 298 183 31 31 185 16 16 190 8 8 194 12 12 196 82 82 197 31 31 199 8 8 206 78 78 207 215 215 208 129 129 209 39 39 211 8 8 212 16 16 221 8 8 222 8 8 223 16 16 224 184 184 225 161 161 227 125 125 228 20 20 230 8 8 234 20 20 235 12 12 237 12 12 239 8 8 245 31 31 246 8 8 247 16 16 249 12 12 256 8 8 259 98 98 260 24 24 261 157 157 262 31 31 263 20 20 264 8 8 274 239 239 275 55 55 276 196 196 277 24 24 281 8 8 285 12 12 286 16 16 287 43 43 288 20 20 289 27 27 290 20 20 302 47 47 303 39 39 304 55 55 305 35 35 306 8 8 314 8 8 316 8 8 322 8 8 326 12 12 336 8 8 354 27 27 356 35 35 357 8 8 //