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MassBank Record: WA001723

Chlorproethazine; LC-ESI-Q; MS; POS; 15 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA001723
RECORD_TITLE: Chlorproethazine; LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Chlorproethazine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H23ClN2S
CH$EXACT_MASS: 346.12705
CH$SMILES: CCN(CC)CCCN(c21)c(c3)c(ccc(Cl)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C19H23ClN2S/c1-3-21(4-2)12-7-13-22-16-8-5-6-9-18(16)23-19-11-10-15(20)14-17(19)22/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3
CH$LINK: CAS 84-01-5
CH$LINK: INCHIKEY DBOUGBAQLIXZLV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80232882

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 15.870 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 15 V

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

PK$SPLASH: splash10-0002-0009000000-ecc3b867c3c4848b8de8
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  313 67 67
  314 16 16
  329 454 454
  330 94 94
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  343 16 16
  344 8 8
  345 121 121
  347 999 999
  348 172 172
  349 400 400
  350 71 71
  351 24 24
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  361 74 74
  362 12 12
  363 71 71
  364 8 8
  365 24 24
  370 27 27
  379 16 16
  381 8 8
//

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