MassBank Record: WA002897



 3-Hydroxybromazepam; LC-ESI-Q; MS; POS; 15 V 
Mass Spectrum
Chemical Structure
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ACCESSION: WA002897
RECORD_TITLE: 3-Hydroxybromazepam; LC-ESI-Q; MS; POS; 15 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$CHROMATOGRAPHY: SAMPLING_CONE 15 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-001i-0209000000-91142672c84ebae4814d PK$NUM_PEAK: 74 PK$PEAK: m/z int. rel.int. 105 8 8 111 12 12 113 8 8 119 12 12 122 8 8 126 110 110 128 8 8 130 20 20 133 31 31 134 8 8 136 8 8 138 20 20 141 16 16 144 35 35 145 16 16 146 12 12 147 20 20 149 39 39 151 31 31 153 16 16 154 16 16 161 27 27 164 8 8 166 12 12 167 12 12 168 12 12 169 8 8 174 12 12 178 16 16 179 8 8 181 43 43 184 20 20 186 8 8 192 8 8 194 12 12 195 8 8 196 12 12 199 43 43 205 12 12 207 39 39 211 12 12 214 125 125 215 8 8 217 8 8 223 8 8 228 12 12 229 8 8 239 8 8 244 8 8 247 8 8 249 12 12 253 8 8 254 12 12 276 8 8 297 8 8 305 12 12 310 20 20 315 39 39 317 16 16 318 16 16 321 8 8 324 8 8 325 12 12 332 999 999 334 968 968 335 153 153 336 12 12 337 8 8 339 12 12 353 31 31 354 231 231 356 212 212 357 16 16 359 8 8 //