Dataset

Colchicine; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-NaToxAq-NA003434 contains the MS2 mass spectrum of Colchicine with the InChIkey IAKHMKGGTNLKSZ-INIZCTEOSA-N.

Chemical Information

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

ColchicineHTML

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Related Molecule ⌄

N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-NaToxAq-NA003434
Version
Author
Maintainer
Language
MetadataPublished	2020-02-22
Related Molecule	N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB01394	drugbank
CHEBI:27882	chebi
LOC	rcsb_pdb
CHEMBL107	chembl
29374654	surechembl
8469	surechembl
6167	pubchem
7JX9WZ3SJ5	fdasrs
SML2Y3J35T	fdasrs
LOC	pdbe
PD002408	probes_and_drugs
COLCDH	CCDC
229302	brenda
229303	brenda
3334	brenda
48923	brenda
8394	brenda
DTXSID5024845	comptox
NCT00000577	clinicaltrials
NCT00004368	clinicaltrials
NCT00004748	clinicaltrials
NCT00128414	clinicaltrials
NCT00128427	clinicaltrials
NCT00128453	clinicaltrials
NCT00179413	clinicaltrials
NCT00235079	clinicaltrials
NCT00370201	clinicaltrials
NCT00370760	clinicaltrials
NCT00506883	clinicaltrials
NCT00700297	clinicaltrials
NCT00723268	clinicaltrials
NCT00754819	clinicaltrials
NCT00819585	clinicaltrials
NCT00840489	clinicaltrials
NCT00960193	clinicaltrials
NCT00960323	clinicaltrials
NCT00983216	clinicaltrials
NCT00983242	clinicaltrials
NCT00983294	clinicaltrials
NCT00983372	clinicaltrials
NCT00983515	clinicaltrials
NCT00983905	clinicaltrials
NCT00983931	clinicaltrials
NCT00984009	clinicaltrials
NCT00984061	clinicaltrials
NCT01001052	clinicaltrials
NCT01005121	clinicaltrials
NCT01017003	clinicaltrials
NCT01017042	clinicaltrials
NCT01018420	clinicaltrials
NCT01021020	clinicaltrials
NCT01021020	clinicaltrials
NCT01040845	clinicaltrials
NCT01075906	clinicaltrials
NCT01084278	clinicaltrials
NCT01112982	clinicaltrials
NCT01123395	clinicaltrials
NCT01130051	clinicaltrials
NCT01160276	clinicaltrials
NCT01173107	clinicaltrials
NCT01266694	clinicaltrials
NCT01336686	clinicaltrials
NCT01399008	clinicaltrials
NCT01416402	clinicaltrials
NCT01451645	clinicaltrials
NCT01481233	clinicaltrials
NCT01552187	clinicaltrials
NCT01601132	clinicaltrials
NCT01709981	clinicaltrials
NCT01755949	clinicaltrials
NCT01906749	clinicaltrials
NCT01935700	clinicaltrials
NCT01936285	clinicaltrials
NCT01985425	clinicaltrials
NCT01994226	clinicaltrials
NCT02060552	clinicaltrials
NCT02063997	clinicaltrials
NCT02083510	clinicaltrials
NCT02122484	clinicaltrials
NCT02128490	clinicaltrials
NCT02139046	clinicaltrials
NCT02140372	clinicaltrials
NCT02162303	clinicaltrials
NCT02175589	clinicaltrials
NCT02176460	clinicaltrials
NCT02177266	clinicaltrials
NCT02252835	clinicaltrials
NCT02260206	clinicaltrials
NCT02281305	clinicaltrials
NCT02282098	clinicaltrials
NCT02330796	clinicaltrials
NCT02366091	clinicaltrials
NCT02442921	clinicaltrials
NCT02500641	clinicaltrials
NCT02551094	clinicaltrials
NCT02582190	clinicaltrials
NCT02594111	clinicaltrials
NCT02602028	clinicaltrials
NCT02624180	clinicaltrials
NCT02898610	clinicaltrials
NCT02926248	clinicaltrials
NCT02939573	clinicaltrials
NCT02995512	clinicaltrials
NCT03015831	clinicaltrials
NCT03021343	clinicaltrials
NCT03048825	clinicaltrials
NCT03128905	clinicaltrials
NCT03131583	clinicaltrials
NCT03156816	clinicaltrials
NCT03226899	clinicaltrials
NCT03310125	clinicaltrials
NCT03376698	clinicaltrials
NCT03575572	clinicaltrials
NCT03693781	clinicaltrials
NCT03888846	clinicaltrials
NCT03905759	clinicaltrials
NCT03913442	clinicaltrials
NCT03933007	clinicaltrials
NCT04008316	clinicaltrials
NCT04056039	clinicaltrials
NCT04130204	clinicaltrials
NCT04160117	clinicaltrials
NCT04181996	clinicaltrials
NCT04218786	clinicaltrials
NCT04224545	clinicaltrials
NCT04264260	clinicaltrials
NCT04322565	clinicaltrials
NCT04322682	clinicaltrials
NCT04324463	clinicaltrials
NCT04326790	clinicaltrials
NCT04328480	clinicaltrials
NCT04350320	clinicaltrials
NCT04355143	clinicaltrials
NCT04355585	clinicaltrials
NCT04359095	clinicaltrials
NCT04360980	clinicaltrials
NCT04363437	clinicaltrials
NCT04367168	clinicaltrials
NCT04375202	clinicaltrials
NCT04381936	clinicaltrials
NCT04382443	clinicaltrials
NCT04392141	clinicaltrials
NCT04403243	clinicaltrials
NCT04416334	clinicaltrials
NCT04420624	clinicaltrials
NCT04472611	clinicaltrials
NCT04492358	clinicaltrials
NCT04500665	clinicaltrials
NCT04510038	clinicaltrials
NCT04516941	clinicaltrials
NCT04539873	clinicaltrials
NCT04601883	clinicaltrials
NCT04603690	clinicaltrials
NCT04667780	clinicaltrials
NCT04705987	clinicaltrials
NCT04724629	clinicaltrials
NCT04756128	clinicaltrials
NCT04762771	clinicaltrials
NCT04774159	clinicaltrials
NCT04818489	clinicaltrials
NCT04848857	clinicaltrials
NCT04857931	clinicaltrials
NCT04867226	clinicaltrials
NCT04870424	clinicaltrials
NCT04875702	clinicaltrials
NCT04906720	clinicaltrials
NCT04916522	clinicaltrials
NCT04949516	clinicaltrials
NCT04997551	clinicaltrials
NCT05017571	clinicaltrials
NCT05118737	clinicaltrials
NCT05130892	clinicaltrials
NCT05151614	clinicaltrials
NCT05159219	clinicaltrials
NCT05162742	clinicaltrials
NCT05168137	clinicaltrials
NCT05175274	clinicaltrials
NCT05200052	clinicaltrials
NCT05246072	clinicaltrials
NCT05250596	clinicaltrials
NCT05253794	clinicaltrials
NCT05279690	clinicaltrials
NCT05324423	clinicaltrials
NCT05335148	clinicaltrials
NCT05347316	clinicaltrials
NCT05439356	clinicaltrials
NCT05459974	clinicaltrials
NCT05472337	clinicaltrials
NCT05476991	clinicaltrials
NCT05503225	clinicaltrials
NCT05618353	clinicaltrials
NCT05633810	clinicaltrials
NCT05637398	clinicaltrials
NCT05677555	clinicaltrials
NCT05698680	clinicaltrials
NCT05709509	clinicaltrials
NCT05726019	clinicaltrials
NCT05734612	clinicaltrials
NCT05737680	clinicaltrials
NCT05739929	clinicaltrials
NCT05802992	clinicaltrials
NCT05850091	clinicaltrials
NCT05855746	clinicaltrials
NCT05873881	clinicaltrials
NCT05890664	clinicaltrials
NCT05928728	clinicaltrials
NCT05936268	clinicaltrials
NCT05949281	clinicaltrials
NCT05956145	clinicaltrials
NCT06020300	clinicaltrials
NCT06025071	clinicaltrials
NCT06054100	clinicaltrials
NCT06062277	clinicaltrials
NCT06078904	clinicaltrials
NCT06081049	clinicaltrials
NCT06090890	clinicaltrials
NCT06095765	clinicaltrials
NCT06102720	clinicaltrials
NCT06118034	clinicaltrials
NCT06130059	clinicaltrials
NCT06158698	clinicaltrials
NCT06203977	clinicaltrials
NCT06212271	clinicaltrials
NCT06217120	clinicaltrials
NCT06270225	clinicaltrials
NCT06279000	clinicaltrials
NCT06280976	clinicaltrials
NCT06286423	clinicaltrials
NCT06304896	clinicaltrials
NCT06342609	clinicaltrials
NCT06396858	clinicaltrials
NCT06426537	clinicaltrials
NCT06469528	clinicaltrials
NCT06472908	clinicaltrials
Molport-001-742-594	molport
726	drugcentral
50014846	bindingdb
The data in this table is sourced from UniChem at EBI.