ACCESSION: MSBNK-Waters-WA000698
RECORD_TITLE: Prazepam; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Prazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₁₇ClN₂O
CH$EXACT_MASS: 324.10294
CH$SMILES: Clc(c3)cc(C=1c(c4)cccc4)c(c3)N(CC(C2)C2)C(=O)CN1
CH$IUPAC: InChI=1S/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)21-11-18(23)22(17)12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2
CH$LINK: CAS 2955-38-6
CH$LINK: INCHIKEY MWQCHHACWWAQLJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021181

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 18.800 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

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

PK$SPLASH: splash10-00dl-0690000000-0d195b8921aee6b970c7
PK$NUM_PEAK: 84
PK$PEAK: m/z int. rel.int.
  104 31 31
  105 74 74
  106 27 27
  113 8 8
  116 67 67
  117 39 39
  118 31 31
  127 24 24
  129 12 12
  130 16 16
  131 8 8
  133 24 24
  138 20 20
  140 639 639
  141 31 31
  142 212 212
  143 12 12
  144 20 20
  150 20 20
  152 16 16
  153 12 12
  154 8 8
  157 8 8
  158 86 86
  159 16 16
  164 8 8
  165 400 400
  166 86 86
  167 133 133
  168 59 59
  170 12 12
  177 8 8
  179 8 8
  180 31 31
  181 31 31
  182 8 8
  190 12 12
  191 47 47
  192 12 12
  193 153 153
  194 24 24
  195 16 16
  199 8 8
  204 8 8
  206 35 35
  207 67 67
  208 439 439
  209 59 59
  214 39 39
  216 31 31
  217 12 12
  218 51 51
  219 43 43
  220 12 12
  221 12 12
  226 114 114
  227 74 74
  228 86 86
  229 31 31
  230 20 20
  232 12 12
  233 24 24
  235 16 16
  236 12 12
  238 24 24
  240 16 16
  241 86 86
  242 51 51
  243 231 231
  244 35 35
  245 67 67
  246 8 8
  253 20 20
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  256 12 12
  257 20 20
  268 16 16
  269 12 12
  271 999 999
  272 137 137
  273 345 345
  274 43 43
  325 31 31
  327 12 12
//