ACCESSION: MSBNK-Waters-WA002896
RECORD_TITLE: 3-Hydroxybromazepam; LC-ESI-Q; MS; POS; 60 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 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
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  206 20 20
  207 110 110
  208 137 137
  209 47 47
  210 12 12
  224 165 165
  225 121 121
  227 90 90
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  239 8 8
  245 8 8
  247 8 8
  249 8 8
  253 8 8
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  261 67 67
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  267 8 8
  274 114 114
  276 102 102
  277 24 24
  279 8 8
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  288 51 51
  289 227 227
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  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
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  340 8 8
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  354 51 51
  356 67 67
//