Dataset

Colchicine

This MassBank record with Accession MSBNK-Fiocruz-FIO00429 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 COC(=C3)C(=O)C=C(C(NC(C)=O)2)C(=C3)c(c(CC2)1)c(OC)c(OC)c(OC)c1
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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00429
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:39:36.475357
MetadataModified 2024-01-11T16:39:36.659843
MetadataPublished 2016-01-19
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
COLCHICINE DailyMed
50014846 BindingDB
229303 Brenda
GLOPERBA rxnorm
MITIGARE rxnorm
COLCRYS rxnorm
COLCHICINE rxnorm
COLCHICINE clinicaltrials
COLCRYS clinicaltrials
HY-16569 MedChemExpress
MCULE-7858118731 Mcule
DTXSID5024845 EPA CompTox Dashboard
60000009 NMRShiftDB
726 DrugCentral
ZINC000000621853 ZINC
J9.267C Nikkaji
COLCDH CCDC
229302 Brenda
colchicine Atlas
14756995 PubChem: Thomson Pharma
30512-31-3 ACToR
SCHEMBL8469 SureChEMBL
LSM-5199 LINCS
SML2Y3J35T FDA SRS
PD002408 ProbesDrugs
3334 Brenda
8394 Brenda
CB6391144 ChemicalBook
48923 Brenda
colchicine DailyMed
PA449092 PharmGKB
MTBLC27882 Metabolights
6167 PubChem
MCULE-1568647156 Mcule
GLOPERBA clinicaltrials
493998 eMolecules
The data in this table is sourced from UniChem at EBI.