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Ticlopidine-M (HO-) MS3_2
SpectraBase Compound ID 27huFtG93Gr
InChI InChI=1S/C8H9ClNO/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4,6,10-11H,5H2/q+1
InChIKey VUNZBRUPNQYUPT-UHFFFAOYSA-N
Mol Weight 170.62 g/mol
Molecular Formula C8H9ClNO
Exact Mass 170.037267 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 60L9ekD1I63
Name Ticlopidine-M (HO-) MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-185.00]
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InChI InChI=1S/C8H9ClNO/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4,6,10-11H,5H2/q+1
InChIKey VUNZBRUPNQYUPT-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N([CH+]O)CC=1C(Cl)=CC=CC1
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