Dataset

Colchicine

This MassBank record with Accession MSBNK-Athens_Univ-AU117103 contains the MS2 mass spectrum of Colchicine with the InChIkey IAKHMKGGTNLKSZ-INIZCTEOSA-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)/t16-/m0/s1
SMILES C/C(=N\[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)OC)/O
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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU117103
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:41:48.710402
MetadataModified 2024-01-11T09:41:48.859210
MetadataPublished 2015-09-23
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
2367 Guide to Pharmacology
LOC PDBe
12012587 PubChem: Drugs of the Future
DB01394 DrugBank
C07592 KEGG Ligand
CHEMBL107 ChEMBL
27882 ChEBI
GLOPERBA clinicaltrials
493998 eMolecules
30512-31-3 ACToR
SCHEMBL8469 SureChEMBL
LSM-5199 LINCS
PD002408 ProbesDrugs
SML2Y3J35T FDA SRS
colchicine Atlas
14756995 PubChem: Thomson Pharma
6167 PubChem
J9.267C Nikkaji
COLCDH CCDC
MCULE-1568647156 Mcule
48923 Brenda
MTBLC27882 Metabolights
8394 Brenda
3334 Brenda
CB6391144 ChemicalBook
colchicine DailyMed
PA449092 PharmGKB
ZINC000000621853 ZINC
726 DrugCentral
60000009 NMRShiftDB
DTXSID5024845 EPA CompTox Dashboard
MCULE-7858118731 Mcule
HY-16569 MedChemExpress
COLCHICINE clinicaltrials
COLCRYS clinicaltrials
COLCRYS rxnorm
MITIGARE rxnorm
GLOPERBA rxnorm
COLCHICINE rxnorm
229303 Brenda
229302 Brenda
50014846 BindingDB
COLCHICINE DailyMed
The data in this table is sourced from UniChem at EBI.