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Linezolide-M (PNU-142618) MS3_1
SpectraBase Compound ID B0xTRKatkGf
InChI InChI=1S/C12H16FN3O3/c13-10-5-8(1-2-11(10)15-3-4-17)16-7-9(6-14)19-12(16)18/h1-2,5,9,15,17H,3-4,6-7,14H2/p+1
InChIKey FIHMYTZODDAHKP-UHFFFAOYSA-O
Mol Weight 270.28 g/mol
Molecular Formula C12H17FN3O3
Exact Mass 270.125395 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID AKFOwEvqee
Name Linezolide-M (PNU-142618) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-285.00]
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InChI InChI=1S/C12H16FN3O3/c13-10-5-8(1-2-11(10)15-3-4-17)16-7-9(6-14)19-12(16)18/h1-2,5,9,15,17H,3-4,6-7,14H2/p+1
InChIKey FIHMYTZODDAHKP-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES [NH3+]CC1CN(C2=CC=C(C(=C2)F)NCCO)C(O1)=O
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