MassBank Record: WA002899



 3-Hydroxybromazepam; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002899
RECORD_TITLE: 3-Hydroxybromazepam; LC-ESI-Q; MS; POS; 45 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$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-05n0-0589000000-b3d2dbeb119fa65370ca PK$NUM_PEAK: 80 PK$PEAK: m/z int. rel.int. 105 24 24 106 999 999 107 16 16 113 16 16 115 86 86 121 27 27 123 8 8 124 67 67 125 8 8 128 16 16 134 12 12 142 8 8 143 20 20 149 59 59 158 125 125 160 8 8 164 12 12 167 8 8 172 24 24 174 27 27 176 8 8 180 27 27 181 27 27 182 67 67 183 8 8 184 8 8 196 20 20 197 8 8 199 8 8 202 8 8 207 24 24 208 55 55 210 20 20 217 20 20 218 8 8 224 39 39 225 47 47 227 12 12 231 8 8 234 8 8 235 55 55 239 24 24 241 368 368 242 12 12 244 8 8 253 8 8 257 20 20 259 16 16 260 20 20 261 51 51 262 24 24 264 12 12 267 12 12 269 8 8 274 12 12 276 27 27 277 20 20 286 24 24 287 881 881 289 846 846 290 129 129 298 8 8 303 349 349 304 27 27 305 360 360 306 51 51 309 8 8 314 235 235 315 431 431 316 290 290 317 357 357 318 74 74 332 137 137 334 110 110 336 47 47 337 8 8 338 31 31 354 270 270 356 282 282 357 59 59 //