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Linezolide artifact (deacetyl-) PFP
SpectraBase Compound ID 2R8eybS5fWA
InChI InChI=1S/C17H17F6N3O4/c18-12-7-10(1-2-13(12)25-3-5-29-6-4-25)26-9-11(30-15(26)28)8-24-14(27)16(19,20)17(21,22)23/h1-2,7,11H,3-6,8-9H2,(H,24,27)
InChIKey YIOWCNOFYIXFLC-UHFFFAOYSA-N
Mol Weight 441.33 g/mol
Molecular Formula C17H17F6N3O4
Exact Mass 441.112325 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWDA5na1Hu4
Name Linezolide artifact (deacetyl-) PFP
Classification Antibiotic
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Exact Mass 441.112325013 u
Formula C17H17N3O4F6
InChI InChI=1S/C17H17F6N3O4/c18-12-7-10(1-2-13(12)25-3-5-29-6-4-25)26-9-11(30-15(26)28)8-24-14(27)16(19,20)17(21,22)23/h1-2,7,11H,3-6,8-9H2,(H,24,27)
InChIKey YIOWCNOFYIXFLC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 441.330 g/mol
SMILES C1(CNC(C(F)(F)C(F)(F)F)=O)OC(N(C1)c1ccc(N2CCOCC2)c(F)c1)=O
SPLASH splash10-0f97-2911200000-bc2ecb4f90c53e0a4864
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_7326