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Nicardipine-M (dehydro-) MS2
SpectraBase Compound ID Qid1mcOmj2
InChI InChI=1S/C26H27N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15H,13-14,16H2,1-4H3
InChIKey GROZWIBBDLLXKU-UHFFFAOYSA-N
Mol Weight 477.52 g/mol
Molecular Formula C26H27N3O6
Exact Mass 477.189986 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID B9uezaqm35K
Name Nicardipine-M (dehydro-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-505.00]
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Formula C26H27N3O6
InChI InChI=1S/C26H27N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15H,13-14,16H2,1-4H3
InChIKey GROZWIBBDLLXKU-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES C1=C(C=CC=C1)CN(CCOC(C=1C(=C(C(=NC1C)C)C(=O)OC)C=1C=CC=C(C1)N(=O)=O)=O)C
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD