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Colchicine MS3_2
SpectraBase Compound ID BPSDmdF1lr1
InChI InChI=1S/C20H21O5/c1-22-16-9-8-14-12(10-15(16)21)6-5-7-13-11-17(23-2)19(24-3)20(25-4)18(13)14/h6,8-11H,5,7H2,1-4H3/q+1
InChIKey RSQRPJWHHAUBKM-UHFFFAOYSA-N
Mol Weight 341.38 g/mol
Molecular Formula C20H21O5
Exact Mass 341.138899 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 79hDce9y7c
Name Colchicine MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C20H21O5/c1-22-16-9-8-14-12(10-15(16)21)6-5-7-13-11-17(23-2)19(24-3)20(25-4)18(13)14/h6,8-11H,5,7H2,1-4H3/q+1
InChIKey RSQRPJWHHAUBKM-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES COC1=CC=C2C3=C(OC)C(OC)=C(OC)C=C3CC[CH+]C2=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: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS