Dataset

Delta9-THC; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA000880 contains the MS mass spectrum of Delta9-THC with the InChIkey CYQFCXCEBYINGO-IAGOWNOFSA-N.

Chemical Information

InChI	InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
SMILES	CCCCCc(c3)cc(O1)c(c(O)3)C([H])(C=2)C([H])(CCC(C)2)C(C)(C)1
InChI Key	CYQFCXCEBYINGO-IAGOWNOFSA-N
Molecular Formula	C21H30O2
Exact Mass	314.225 g/mol

Data and Resources

Delta9-THCHTML

Go to source

Related Molecule ⌄

(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000880
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB00470	drugbank
CHEBI:66964	chebi
LMPK13120004	lipidmaps
TCI	rcsb_pdb
CHEMBL465	chembl
29390424	surechembl
4609	surechembl
16078	pubchem
7J8897W37S	fdasrs
TCI	pdbe
PD010009	probes_and_drugs
135425	brenda
224503	brenda
HMDB0014613	hmdb
DTXSID001038830	comptox
DTXSID6021327	comptox
NCT00000737	clinicaltrials
NCT00079560	clinicaltrials
NCT00123201	clinicaltrials
NCT00153192	clinicaltrials
NCT00217971	clinicaltrials
NCT00314808	clinicaltrials
NCT00316563	clinicaltrials
NCT00373399	clinicaltrials
NCT00373503	clinicaltrials
NCT00403117	clinicaltrials
NCT00403117	clinicaltrials
NCT00418925	clinicaltrials
NCT00438139	clinicaltrials
NCT00480441	clinicaltrials
NCT00490269	clinicaltrials
NCT00553059	clinicaltrials
NCT00624715	clinicaltrials
NCT00642499	clinicaltrials
NCT00642512	clinicaltrials
NCT00642512	clinicaltrials
NCT00674609	clinicaltrials
NCT00678730	clinicaltrials
NCT00682929	clinicaltrials
NCT00708994	clinicaltrials
NCT00743119	clinicaltrials
NCT00743145	clinicaltrials
NCT00760695	clinicaltrials
NCT00893074	clinicaltrials
NCT00946348	clinicaltrials
NCT00959218	clinicaltrials
NCT00982982	clinicaltrials
NCT01020019	clinicaltrials
NCT01024335	clinicaltrials
NCT01037608	clinicaltrials
NCT01041170	clinicaltrials
NCT01093976	clinicaltrials
NCT01180374	clinicaltrials
NCT01253408	clinicaltrials
NCT01302340	clinicaltrials
NCT01322139	clinicaltrials
NCT01323569	clinicaltrials
NCT01380457	clinicaltrials
NCT01394185	clinicaltrials
NCT01448772	clinicaltrials
NCT01591629	clinicaltrials
NCT01595620	clinicaltrials
NCT01598207	clinicaltrials
NCT01598896	clinicaltrials
NCT01608217	clinicaltrials
NCT01740960	clinicaltrials
NCT01755091	clinicaltrials
NCT01776970	clinicaltrials
NCT01786109	clinicaltrials
NCT01832766	clinicaltrials
NCT01853020	clinicaltrials
NCT01964404	clinicaltrials
NCT02094599	clinicaltrials
NCT02102113	clinicaltrials
NCT02335060	clinicaltrials
NCT02404688	clinicaltrials
NCT02407808	clinicaltrials
NCT02460692	clinicaltrials
NCT02460692	clinicaltrials
NCT02472847	clinicaltrials
NCT02487381	clinicaltrials
NCT02492074	clinicaltrials
NCT02569073	clinicaltrials
NCT02576912	clinicaltrials
NCT02608931	clinicaltrials
NCT02709954	clinicaltrials
NCT02710331	clinicaltrials
NCT02757313	clinicaltrials
NCT02759185	clinicaltrials
NCT02781519	clinicaltrials
NCT02792257	clinicaltrials
NCT02811510	clinicaltrials
NCT02811939	clinicaltrials
NCT02961309	clinicaltrials
NCT02983773	clinicaltrials
NCT03008005	clinicaltrials
NCT03066193	clinicaltrials
NCT03106363	clinicaltrials
NCT03106363	clinicaltrials
NCT03191084	clinicaltrials
NCT03201835	clinicaltrials
NCT03206463	clinicaltrials
NCT03215940	clinicaltrials
NCT03245658	clinicaltrials
NCT03337503	clinicaltrials
NCT03398083	clinicaltrials
NCT03471585	clinicaltrials
NCT03518567	clinicaltrials
NCT03530800	clinicaltrials
NCT03550352	clinicaltrials
NCT03555968	clinicaltrials
NCT03560934	clinicaltrials
NCT03604341	clinicaltrials
NCT03655717	clinicaltrials
NCT03661892	clinicaltrials
NCT03766269	clinicaltrials
NCT03804840	clinicaltrials
NCT03805750	clinicaltrials
NCT03809546	clinicaltrials
NCT03825965	clinicaltrials
NCT03832816	clinicaltrials
NCT03944954	clinicaltrials
NCT03978156	clinicaltrials
NCT03984214	clinicaltrials
NCT03994926	clinicaltrials
NCT04025359	clinicaltrials
NCT04075435	clinicaltrials
NCT04080427	clinicaltrials
NCT04099355	clinicaltrials
NCT04130633	clinicaltrials
NCT04155008	clinicaltrials
NCT04199468	clinicaltrials
NCT04201197	clinicaltrials
NCT04226690	clinicaltrials
NCT04231643	clinicaltrials
NCT04261166	clinicaltrials
NCT04261166	clinicaltrials
NCT04269993	clinicaltrials
NCT04283019	clinicaltrials
NCT04294966	clinicaltrials
NCT04298528	clinicaltrials
NCT04346407	clinicaltrials
NCT04360044	clinicaltrials
NCT04360044	clinicaltrials
NCT04374773	clinicaltrials
NCT04436081	clinicaltrials
NCT04451863	clinicaltrials
NCT04512365	clinicaltrials
NCT04569760	clinicaltrials
NCT04596826	clinicaltrials
NCT04615949	clinicaltrials
NCT04704271	clinicaltrials
NCT04734080	clinicaltrials
NCT04741477	clinicaltrials
NCT04800159	clinicaltrials
NCT04855526	clinicaltrials
NCT04855526	clinicaltrials
NCT04856566	clinicaltrials
NCT04856566	clinicaltrials
NCT04859296	clinicaltrials
NCT04883255	clinicaltrials
NCT04920539	clinicaltrials
NCT04958876	clinicaltrials
NCT04970342	clinicaltrials
NCT04976738	clinicaltrials
NCT04989413	clinicaltrials
NCT04992624	clinicaltrials
NCT04992962	clinicaltrials
NCT05002946	clinicaltrials
NCT05037487	clinicaltrials
NCT05037487	clinicaltrials
NCT05041647	clinicaltrials
NCT05041647	clinicaltrials
NCT05052541	clinicaltrials
NCT05052541	clinicaltrials
NCT05067387	clinicaltrials
NCT05067387	clinicaltrials
NCT05115513	clinicaltrials
NCT05116527	clinicaltrials
NCT05121506	clinicaltrials
NCT05184478	clinicaltrials
NCT05192239	clinicaltrials
NCT05261321	clinicaltrials
NCT05267769	clinicaltrials
NCT05272865	clinicaltrials
NCT05287256	clinicaltrials
NCT05322213	clinicaltrials
NCT05335252	clinicaltrials
NCT05351801	clinicaltrials
NCT05389930	clinicaltrials
NCT05427630	clinicaltrials
NCT05432284	clinicaltrials
NCT05478863	clinicaltrials
NCT05514899	clinicaltrials
NCT05519111	clinicaltrials
NCT05612711	clinicaltrials
NCT05626959	clinicaltrials
NCT05641766	clinicaltrials
NCT05672342	clinicaltrials
NCT05820685	clinicaltrials
NCT05857384	clinicaltrials
NCT05865470	clinicaltrials
NCT05906511	clinicaltrials
NCT06034314	clinicaltrials
NCT06058702	clinicaltrials
NCT06071936	clinicaltrials
NCT06071962	clinicaltrials
NCT06071975	clinicaltrials
NCT06071988	clinicaltrials
NCT06072001	clinicaltrials
NCT06072560	clinicaltrials
NCT06072573	clinicaltrials
NCT06099379	clinicaltrials
NCT06146101	clinicaltrials
NCT06149988	clinicaltrials
NCT06175273	clinicaltrials
NCT06218550	clinicaltrials
NCT06222268	clinicaltrials
NCT06236815	clinicaltrials
NCT06261489	clinicaltrials
NCT06378957	clinicaltrials
NCT06454669	clinicaltrials
NCT06477952	clinicaltrials
4109	drugcentral
50007391	bindingdb
60994	bindingdb
The data in this table is sourced from UniChem at EBI.