ACCESSION: MSBNK-Waters-WA000700
RECORD_TITLE: Prazepam; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-00b9-0079000000-1e9866c3d0dd72f1e706
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  105 12 12
  241 8 8
  242 8 8
  255 35 35
  256 8 8
  257 12 12
  268 20 20
  271 815 815
  272 114 114
  273 282 282
  274 39 39
  297 16 16
  325 999 999
  326 172 172
  327 353 353
  328 59 59
  329 8 8
//