MassBank Record: WA002898



 3-Hydroxybromazepam; LC-ESI-Q; MS; POS; 30 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002898
RECORD_TITLE: 3-Hydroxybromazepam; LC-ESI-Q; MS; POS; 30 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$CHROMATOGRAPHY: SAMPLING_CONE 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00lr-0119000000-aa7d69cfb313096ebec3 PK$NUM_PEAK: 85 PK$PEAK: m/z int. rel.int. 102 12 12 103 290 290 104 20 20 105 51 51 106 24 24 109 8 8 112 27 27 118 47 47 120 27 27 129 16 16 138 12 12 142 8 8 146 31 31 147 27 27 149 43 43 150 12 12 156 31 31 161 157 157 162 27 27 165 12 12 166 8 8 182 20 20 186 20 20 198 12 12 199 24 24 201 8 8 203 12 12 205 55 55 210 20 20 212 12 12 219 8 8 228 12 12 229 16 16 231 16 16 233 8 8 237 8 8 238 12 12 239 24 24 247 8 8 250 20 20 253 8 8 261 8 8 262 8 8 263 78 78 264 20 20 269 24 24 270 8 8 276 12 12 281 27 27 287 212 212 289 188 188 290 20 20 291 8 8 294 12 12 297 16 16 303 78 78 304 8 8 305 121 121 306 20 20 310 8 8 311 12 12 314 106 106 315 697 697 316 251 251 317 690 690 318 74 74 321 8 8 325 24 24 330 16 16 332 999 999 334 956 956 335 176 176 336 63 63 337 24 24 338 47 47 339 20 20 340 8 8 342 55 55 344 20 20 346 12 12 354 494 494 356 423 423 357 43 43 360 8 8 363 12 12 //