ACCESSION: MSBNK-Waters-WA002900
RECORD_TITLE: 3-Hydroxybromazepam; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 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
CH$LINK: COMPTOX DTXSID80927160

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
//