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Lenvatinib MS2
SpectraBase Compound ID 2i30Bu00rGD
InChI InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)
InChIKey WOSKHXYHFSIKNG-UHFFFAOYSA-N
Mol Weight 426.86 g/mol
Molecular Formula C21H19ClN4O4
Exact Mass 426.109483 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 6MgBrBG5FPd
Name Lenvatinib MS2
Comments F: ITMS + c ESI d w Full ms2 427.30
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Formula C21H19ClN4O4
InChI InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)
InChIKey WOSKHXYHFSIKNG-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES NC(C1=CC=2C(=NC=CC2OC=2C=CC(=C(C2)Cl)NC(NC2CC2)=O)C=C1OC)=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 ms2
Technique ITMS