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Naftidrofuryl MS3_1
SpectraBase Compound ID 8QFCN7etUt8
InChI InChI=1S/C18H19O2/c19-13-14(12-17-8-4-10-20-17)11-16-7-3-6-15-5-1-2-9-18(15)16/h1-3,5-7,9,14,17H,4,8,10-12H2/q+1
InChIKey OGYCECQYXVIYQF-UHFFFAOYSA-N
Mol Weight 267.35 g/mol
Molecular Formula C18H19O2
Exact Mass 267.138505 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 7yLUe2dVdmO
Name Naftidrofuryl-M (478) MS3_2
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-280.00]
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InChI InChI=1S/C18H19O2/c19-13-14(12-17-8-4-10-20-17)11-16-7-3-6-15-5-1-2-9-18(15)16/h1-3,5-7,9,14,17H,4,8,10-12H2/q+1
InChIKey OGYCECQYXVIYQF-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [C+](C(CC1CCCO1)CC=1C=CC=C2C1C=CC=C2)=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