Dataset

Colchicine; LC-ESI-QFT; MS2; Ramp 20%-70% (nominal); 30000; [M+H]+

This MassBank record with Accession MSBNK-ACES_SU-AS000545 contains the MS2 mass spectrum of Colchicine with the InChIkey IAKHMKGGTNLKSZ-INIZCTEOSA-N.

Chemical Information

Molecular Image
InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
SMILES CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
InChI Key IAKHMKGGTNLKSZ-INIZCTEOSA-N
Molecular Formula C22H25NO6
Exact Mass 399.168 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-ACES_SU-AS000545
Version
Author
Maintainer
Language
MetadataPublished 2025-06-26
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