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Lacidipine-M (dehydro-) MS3_2
SpectraBase Compound ID HFcU4TPMjXz
InChI InChI=1S/C22H22NO5/c1-5-27-21(25)18-14(3)23-15(4)19(22(26)28-6-2)20(18)17-11-7-9-16(13-17)10-8-12-24/h7-11,13H,5-6H2,1-4H3/q+1/b10-8+
InChIKey GYHLEFPSRSSABU-CSKARUKUSA-N
Mol Weight 380.42 g/mol
Molecular Formula C22H22NO5
Exact Mass 380.149798 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 4dZybu8Emzp
Name Lacidipine-M (dehydro-) MS3_2
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [90.00-395.00]
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InChI InChI=1S/C22H22NO5/c1-5-27-21(25)18-14(3)23-15(4)19(22(26)28-6-2)20(18)17-11-7-9-16(13-17)10-8-12-24/h7-11,13H,5-6H2,1-4H3/q+1/b10-8+
InChIKey GYHLEFPSRSSABU-CSKARUKUSA-N
Ion Polarity P
Ionization Type ESI
SMILES [C+](\C=C\C=1C=C(C=2C(C(=O)OCC)=C(N=C(C2C(=O)OCC)C)C)C=CC1)=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