Dataset

Colchicine; LC-ESI-Q; MS; POS; 15 V, 30 V

This MassBank record with Accession MSBNK-Waters-WA001571 contains the MS 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 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-Waters-WA001571
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
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    Measurement Technique liquid chromatography-mass spectrometry
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    Data-Source Molecule ID Data-Source
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    LOC PDBe
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    DB01394 DrugBank
    C07592 KEGG Ligand
    CHEMBL107 ChEMBL
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    COLCDH CCDC
    50014846 BindingDB
    COLCHICINE DailyMed
    229302 Brenda
    229303 Brenda
    GLOPERBA rxnorm
    MITIGARE rxnorm
    COLCRYS rxnorm
    COLCHICINE rxnorm
    COLCRYS clinicaltrials
    COLCHICINE clinicaltrials
    HY-16569 MedChemExpress
    MCULE-7858118731 Mcule
    DTXSID5024845 EPA CompTox Dashboard
    60000009 NMRShiftDB
    726 DrugCentral
    ZINC000000621853 ZINC
    PA449092 PharmGKB
    30512-31-3 ACToR
    SCHEMBL8469 SureChEMBL
    LSM-5199 LINCS
    PD002408 ProbesDrugs
    SML2Y3J35T FDA SRS
    colchicine Atlas
    14756995 PubChem: Thomson Pharma
    GLOPERBA clinicaltrials
    493998 eMolecules
    6167 PubChem
    MCULE-1568647156 Mcule
    MTBLC27882 Metabolights
    48923 Brenda
    8394 Brenda
    3334 Brenda
    colchicine DailyMed
    CB6391144 ChemicalBook
    The data in this table is sourced from UniChem at EBI.