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Nilvadipine MS3_1
SpectraBase Compound ID 8EQhH5fOwEj
InChI InChI=1S/C16H11N3O5/c1-9-14(16(21)24-2)15(12(8-20)13(7-17)18-9)10-4-3-5-11(6-10)19(22)23/h3-6,15H,1-2H3/p+1
InChIKey NZAHIZYNKLTIEI-UHFFFAOYSA-O
Mol Weight 326.29 g/mol
Molecular Formula C16H12N3O5
Exact Mass 326.077695 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 7KF0Gb3KGO
Name Nilvadipine 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/C16H11N3O5/c1-9-14(16(21)24-2)15(12(8-20)13(7-17)18-9)10-4-3-5-11(6-10)19(22)23/h3-6,15H,1-2H3/p+1
InChIKey NZAHIZYNKLTIEI-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES N1C(=C(C(C(=C1C#N)[C+]=O)C=1C=C(N(=O)=O)C=CC1)C(=O)OC)C
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