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Ticlopidine-M (HO-) MS2
SpectraBase Compound ID MdlqSsh6VX
InChI InChI=1S/C14H14ClNOS/c15-12-4-2-1-3-10(12)9-16-7-5-13-11(14(16)17)6-8-18-13/h1-4,6,8,14,17H,5,7,9H2
InChIKey SFVBCXFXBHHJBK-UHFFFAOYSA-N
Mol Weight 279.78 g/mol
Molecular Formula C14H14ClNOS
Exact Mass 279.048463 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID DtKTtQUsoEP
Name Ticlopidine-M (HO- dimer) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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Formula C14H14ClNOS
InChI InChI=1S/C14H14ClNOS/c15-12-4-2-1-3-10(12)9-16-7-5-13-11(14(16)17)6-8-18-13/h1-4,6,8,14,17H,5,7,9H2
InChIKey SFVBCXFXBHHJBK-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC1N(CC=2C(Cl)=CC=CC2)CCC2=C1C=CS2
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS