ACCESSION: MSBNK-Waters-WA001302
RECORD_TITLE: Clobazam; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Clobazam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₃ClN₂O₂
CH$EXACT_MASS: 300.06656
CH$SMILES: Clc(c3)cc(c(c3)2)N(C(=O)CC(=O)N(C)2)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3
CH$LINK: CAS 22316-47-8
CH$LINK: INCHIKEY CXOXHMZGEKVPMT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2046759

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 16.400 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 90 V

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

PK$SPLASH: splash10-05fr-0790000000-cc7c2114cfef578d58b6
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  105 552 552
  106 24 24
  117 55 55
  118 180 180
  119 20 20
  126 12 12
  128 8 8
  135 8 8
  140 20 20
  141 12 12
  145 43 43
  146 16 16
  147 24 24
  153 357 357
  154 31 31
  155 129 129
  156 8 8
  166 35 35
  167 125 125
  168 24 24
  169 8 8
  179 12 12
  180 20 20
  181 153 153
  182 129 129
  183 47 47
  184 16 16
  195 176 176
  196 39 39
  202 20 20
  203 35 35
  204 12 12
  205 16 16
  207 39 39
  208 16 16
  209 43 43
  214 12 12
  215 141 141
  216 239 239
  217 106 106
  218 90 90
  219 20 20
  223 262 262
  224 999 999
  225 118 118
  226 8 8
  229 12 12
  230 8 8
  231 12 12
  244 94 94
  245 12 12
  246 31 31
  259 286 286
  260 39 39
  261 102 102
  262 12 12
  323 12 12
  339 27 27
  341 16 16
//