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Tizanidine artifact TFA
SpectraBase Compound ID 5AbyMRqPBM0
InChI InChI=1S/C8H3ClF3N3OS/c9-3-1-2-4-6(15-17-14-4)5(3)13-7(16)8(10,11)12/h1-2H,(H,13,16)
InChIKey VFSWTGOMKLXNGJ-UHFFFAOYSA-N
Mol Weight 281.64 g/mol
Molecular Formula C8H3ClF3N3OS
Exact Mass 280.963745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AVdVAP89W9
Name Tizanidine artifact TFA
Classification Muscle relaxant
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Exact Mass 280.963745091 u
Formula C8H3ClF3N3OS
InChI InChI=1S/C8H3ClF3N3OS/c9-3-1-2-4-6(15-17-14-4)5(3)13-7(16)8(10,11)12/h1-2H,(H,13,16)
InChIKey VFSWTGOMKLXNGJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 281.640 g/mol
SMILES C(=O)(Nc1c2nsnc2ccc1Cl)C(F)(F)F
SPLASH splash10-090s-8980000000-88b5c26d3f405a527e30
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_7256