MassBank Record: WA002896



 3-Hydroxybromazepam; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002896
RECORD_TITLE: 3-Hydroxybromazepam; LC-ESI-Q; MS; POS; 60 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$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0973000000-f5c4747981d839ff32c5 PK$NUM_PEAK: 72 PK$PEAK: m/z int. rel.int. 101 12 12 105 407 407 106 999 999 107 35 35 108 8 8 110 8 8 113 8 8 114 12 12 119 47 47 121 8 8 124 63 63 132 8 8 135 8 8 136 8 8 141 8 8 172 35 35 173 8 8 174 35 35 175 12 12 180 27 27 181 20 20 182 168 168 183 27 27 195 16 16 196 24 24 200 8 8 206 20 20 207 110 110 208 137 137 209 47 47 210 12 12 224 165 165 225 121 121 227 90 90 228 16 16 230 8 8 239 8 8 245 8 8 247 8 8 249 8 8 253 8 8 259 47 47 261 67 67 262 24 24 263 20 20 267 8 8 274 114 114 276 102 102 277 24 24 279 8 8 286 20 20 287 227 227 288 51 51 289 227 227 290 39 39 291 16 16 302 24 24 303 145 145 304 24 24 305 165 165 306 16 16 314 39 39 315 24 24 316 51 51 317 8 8 322 8 8 332 12 12 338 16 16 340 8 8 343 16 16 354 51 51 356 67 67 //