ACCESSION: MSBNK-Waters-WA002897
RECORD_TITLE: 3-Hydroxybromazepam; LC-ESI-Q; MS; POS; 15 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 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
//