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MassBank Record: WA000630

Ticlopidine; LC-ESI-Q; MS; POS; 75 V, 90 V

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

ACCESSION: WA000630
RECORD_TITLE: Ticlopidine; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Ticlopidine
CH$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 75 V, 90 V

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

PK$SPLASH: splash10-004i-0900000000-f009087393d4c68e8d25
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  101 12 12
  111 8 8
  125 999 999
  126 43 43
  127 384 384
  128 20 20
  130 20 20
  154 39 39
  156 12 12
  166 55 55
  168 20 20
  184 8 8
  264 31 31
  266 12 12
//

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