ACCESSION: MSBNK-Waters-WA000697
RECORD_TITLE: Prazepam; 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$NAME: Prazepam
CH$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 90 V

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

PK$SPLASH: splash10-05mo-0940000000-f2fa00eabccb5102325d
PK$NUM_PEAK: 102
PK$PEAK: m/z int. rel.int.
  102 12 12
  103 27 27
  104 161 161
  105 141 141
  106 24 24
  111 12 12
  113 67 67
  114 8 8
  115 20 20
  116 184 184
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//