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Piretanide MS3_1
SpectraBase Compound ID 3A2GeSvf3S1
InChI InChI=1S/C17H15NO3/c19-17(20)13-8-9-16(21-14-6-2-1-3-7-14)15(12-13)18-10-4-5-11-18/h1-3,6-8,12H,4-5,10-11H2/p+1
InChIKey GIQJALLSZMEJNZ-UHFFFAOYSA-O
Mol Weight 282.32 g/mol
Molecular Formula C17H16NO3
Exact Mass 282.113018 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 79fepoeH32
Name Piretanide MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C17H15NO3/c19-17(20)13-8-9-16(21-14-6-2-1-3-7-14)15(12-13)18-10-4-5-11-18/h1-3,6-8,12H,4-5,10-11H2/p+1
InChIKey GIQJALLSZMEJNZ-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC(C=1C=[C+]C(=C(N2CCCC2)C1)OC1=CC=CC=C1)=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: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS