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Linezolide-M (PNU-142586) MS3_1
SpectraBase Compound ID EL1cIiDWZQU
InChI InChI=1S/C14H18FN3O5/c15-11-5-9(18-7-10(6-16)23-14(18)22)1-2-12(11)17(3-4-19)8-13(20)21/h1-2,5,10,19H,3-4,6-8,16H2,(H,20,21)/p+1
InChIKey PTTHJUTWSCBSNM-UHFFFAOYSA-O
Mol Weight 328.32 g/mol
Molecular Formula C14H19FN3O5
Exact Mass 328.130874 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Lcsm68oyWnT
Name Linezolide-M (PNU-142586) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [75.00-340.00]
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InChI InChI=1S/C14H18FN3O5/c15-11-5-9(18-7-10(6-16)23-14(18)22)1-2-12(11)17(3-4-19)8-13(20)21/h1-2,5,10,19H,3-4,6-8,16H2,(H,20,21)/p+1
InChIKey PTTHJUTWSCBSNM-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES [NH3+]CC1CN(C2=CC=C(N(CC(O)=O)CCO)C(=C2)F)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