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MassBank Record: WA000632

Ticlopidine; LC-ESI-Q; MS; POS; 45 V

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

ACCESSION: WA000632
RECORD_TITLE: Ticlopidine; 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$NAME: Ticlopidine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H14ClNS
CH$EXACT_MASS: 263.05355
CH$SMILES: Clc(c3)c(ccc3)CN(C1)Cc(c2)c(sc2)C1
CH$IUPAC: InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2
CH$LINK: CAS 55142-85-3
CH$LINK: INCHIKEY PHWBOXQYWZNQIN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5023669

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 12.810 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$SPLASH: splash10-0ufr-0910000000-73fc594a2af54f3dea85
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  111 20 20
  125 584 584
  126 20 20
  127 196 196
  128 8 8
  138 12 12
  154 999 999
  155 47 47
  156 349 349
  157 20 20
  166 39 39
  168 12 12
  195 12 12
  199 12 12
  228 55 55
  229 8 8
  235 12 12
  246 12 12
  264 180 180
  265 24 24
  266 74 74
  267 8 8
//

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