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Nevirapine-M (4-COOH-) MS2
SpectraBase Compound ID 1SzT3DD68LS
InChI InChI=1S/C15H12N4O3/c20-14-10-2-1-6-16-12(10)19(8-3-4-8)13-11(18-14)9(15(21)22)5-7-17-13/h1-2,5-8H,3-4H2,(H,18,20)(H,21,22)
InChIKey WDXCMIDQWGYHIN-UHFFFAOYSA-N
Mol Weight 296.29 g/mol
Molecular Formula C15H12N4O3
Exact Mass 296.09094 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID HV9Mh10EMKq
Name Nevirapine-M (4-COOH-) MS2
Comments F: ITMS + c ESI d w Full ms2 297.10
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Formula C15H12N4O3
InChI InChI=1S/C15H12N4O3/c20-14-10-2-1-6-16-12(10)19(8-3-4-8)13-11(18-14)9(15(21)22)5-7-17-13/h1-2,5-8H,3-4H2,(H,18,20)(H,21,22)
InChIKey WDXCMIDQWGYHIN-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N1C=2C(C(O)=O)=CC=NC2N(C2CC2)C2=C(C1=O)C=CC=N2
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 ms2
Technique ITMS