MassBank MassBank Search Contents Download

MassBank Record: MSBNK-Waters-WA001720

Chlorproethazine; LC-ESI-Q; MS; POS; 60 V

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

ACCESSION: MSBNK-Waters-WA001720
RECORD_TITLE: Chlorproethazine; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-03di-0950000000-0dec57841ad8a61afbef
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  112 20 20
  114 999 999
  115 43 43
  196 24 24
  199 8 8
  200 12 12
  211 16 16
  212 16 16
  214 51 51
  215 27 27
  216 16 16
  223 12 12
  228 74 74
  229 12 12
  230 8 8
  232 8 8
  233 12 12
  239 74 74
  240 16 16
  241 12 12
  242 8 8
  244 12 12
  246 110 110
  247 12 12
  248 43 43
  255 20 20
  256 27 27
  272 12 12
  273 8 8
  274 16 16
  329 8 8
  345 8 8
  347 27 27
  349 12 12
  363 12 12
//

system version 2.2.6-SNAPSHOT
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo