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Tizanidine artifact PFP
SpectraBase Compound ID 2Cn2AYcM2CM
InChI InChI=1S/C9H3ClF5N3OS/c10-3-1-2-4-6(18-20-17-4)5(3)16-7(19)8(11,12)9(13,14)15/h1-2H,(H,16,19)
InChIKey YCVPRAYMKOSKAA-UHFFFAOYSA-N
Mol Weight 331.65 g/mol
Molecular Formula C9H3ClF5N3OS
Exact Mass 330.960551 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ulPGURCjY
Name Tizanidine artifact PFP
Classification Muscle relaxant
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Exact Mass 330.960551417 u
Formula C9H3ClF5N3OS
InChI InChI=1S/C9H3ClF5N3OS/c10-3-1-2-4-6(18-20-17-4)5(3)16-7(19)8(11,12)9(13,14)15/h1-2H,(H,16,19)
InChIKey YCVPRAYMKOSKAA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 331.648 g/mol
SMILES C(=O)(Nc1c2c(ccc1Cl)nsn2)C(F)(F)C(F)(F)F
SPLASH splash10-0002-6972000000-57004dd35bf151c6d3ae
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_7257