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Clopidogrel-M (2-oxo-) MS2
SpectraBase Compound ID wPdfRZkAiQ
InChI InChI=1S/C16H14ClNO3S/c1-21-16(20)14(10-4-2-3-5-12(10)17)18-8-6-13-11(15(18)19)7-9-22-13/h2-5,7,9,14H,6,8H2,1H3
InChIKey HSCNHMPMLPOTRW-UHFFFAOYSA-N
Mol Weight 335.81 g/mol
Molecular Formula C16H14ClNO3S
Exact Mass 335.038292 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID F5cq9iQGenz
Name Clopidogrel-M (2-oxo-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-365.00]
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Formula C16H14ClNO3S
InChI InChI=1S/C16H14ClNO3S/c1-21-16(20)14(10-4-2-3-5-12(10)17)18-8-6-13-11(15(18)19)7-9-22-13/h2-5,7,9,14H,6,8H2,1H3
InChIKey HSCNHMPMLPOTRW-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES C=1C=CC(C(N2C(C=3C=CSC3CC2)=O)C(=O)OC)=C(Cl)C1
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD