ACCESSION: MSBNK-Waters-WA002898
RECORD_TITLE: 3-Hydroxybromazepam; LC-ESI-Q; MS; POS; 30 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 30 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-00lr-0119000000-aa7d69cfb313096ebec3
PK$NUM_PEAK: 85
PK$PEAK: m/z int. rel.int.
  102 12 12
  103 290 290
  104 20 20
  105 51 51
  106 24 24
  109 8 8
  112 27 27
  118 47 47
  120 27 27
  129 16 16
  138 12 12
  142 8 8
  146 31 31
  147 27 27
  149 43 43
  150 12 12
  156 31 31
  161 157 157
  162 27 27
  165 12 12
  166 8 8
  182 20 20
  186 20 20
  198 12 12
  199 24 24
  201 8 8
  203 12 12
  205 55 55
  210 20 20
  212 12 12
  219 8 8
  228 12 12
  229 16 16
  231 16 16
  233 8 8
  237 8 8
  238 12 12
  239 24 24
  247 8 8
  250 20 20
  253 8 8
  261 8 8
  262 8 8
  263 78 78
  264 20 20
  269 24 24
  270 8 8
  276 12 12
  281 27 27
  287 212 212
  289 188 188
  290 20 20
  291 8 8
  294 12 12
  297 16 16
  303 78 78
  304 8 8
  305 121 121
  306 20 20
  310 8 8
  311 12 12
  314 106 106
  315 697 697
  316 251 251
  317 690 690
  318 74 74
  321 8 8
  325 24 24
  330 16 16
  332 999 999
  334 956 956
  335 176 176
  336 63 63
  337 24 24
  338 47 47
  339 20 20
  340 8 8
  342 55 55
  344 20 20
  346 12 12
  354 494 494
  356 423 423
  357 43 43
  360 8 8
  363 12 12
//