Dataset

11-Hydroxy-Delta9-THC

This MassBank record with Accession MSBNK-Waters-WA000874 contains the MS mass spectrum of 11-Hydroxy-Delta9-THC with the InChIkey YCBKSSAWEUDACY-IAGOWNOFSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h10-12,16-17,22-23H,4-9,13H2,1-3H3/t16-,17-/m1/s1
SMILES CCCCCc(c3)cc(O1)c(c(O)3)C([H])(C=2)C([H])(CCC(CO)2)C(C)(C)1
InChI Key YCBKSSAWEUDACY-IAGOWNOFSA-N
Molecular Formula C21H30O3
Exact Mass 330.219 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-WA000874
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:18.237389
MetadataModified 2024-01-11T22:49:18.402367
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
85262212 PubChem: Thomson Pharma
PD057919 ProbesDrugs
9VY04N5SLB FDA SRS
29369558 eMolecules
124340321 PubChem: Thomson Pharma
77270 ChEBI
644022 PubChem
J113.237G Nikkaji
CHEMBL3229459 ChEMBL
ZINC000002008394 ZINC
84909 BindingDB
227859 Brenda
DTXSID50190061 EPA CompTox Dashboard
MTBLC77270 Metabolights
HMDB0062581 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.