Dataset

Colchicine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00535 contains the MS2 mass spectrum of Colchicine with the InChIkey IAKHMKGGTNLKSZ-UHFFFAOYSA-N.

Chemical Info

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)
SMILES CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
InChI Key IAKHMKGGTNLKSZ-UHFFFAOYSA-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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00535
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:43.169750
MetadataModified 2024-01-11T22:28:43.352088
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
23359 ChEBI
CHEMBL87 ChEMBL
1970918 eMolecules
729203 eMolecules
2833 PubChem
PD009519 ProbesDrugs
16834795 PubChem: Thomson Pharma
SCHEMBL675246 SureChEMBL
64-86-8 ACToR
COLCDH CCDC
MCULE-7902106432 Mcule
10017694 NMRShiftDB
MTBLC23359 Metabolights
HMDB0015466 Human Metabolome Database
DTXSID20274387 EPA CompTox Dashboard
J3.375.337C Nikkaji
The data in this table is sourced from UniChem at EBI.