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Colchicine-M (deacetyl-) MS3_1
SpectraBase Compound ID 4D1rsHpp7UT
InChI InChI=1S/C19H20NO4/c1-22-16-9-6-12-13(10-15(16)21)14(20)7-4-11-5-8-17(23-2)19(24-3)18(11)12/h5-6,9-10,14H,4,7,20H2,1-3H3/q+1
InChIKey NZBMXVIUUYVHAU-UHFFFAOYSA-N
Mol Weight 326.37 g/mol
Molecular Formula C19H20NO4
Exact Mass 326.139233 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 6JHo6WAm4lP
Name Colchicine-M (deacetyl-) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C19H20NO4/c1-22-16-9-6-12-13(10-15(16)21)14(20)7-4-11-5-8-17(23-2)19(24-3)18(11)12/h5-6,9-10,14H,4,7,20H2,1-3H3/q+1
InChIKey NZBMXVIUUYVHAU-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES NC1CCC2=C[C+]=C(C(OC)=C2C=2C1=CC(=O)C(=CC2)OC)OC
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