Dataset

Yohimbine

This MassBank record with Accession MSBNK-Waters-WA002418 contains the MS mass spectrum of Yohimbine with the InChIkey BLGXFZZNTVWLAY-SCYLSFHTSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
SMILES COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O
InChI Key BLGXFZZNTVWLAY-SCYLSFHTSA-N
Molecular Formula C21H26N2O3
Exact Mass 354.194 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-WA002418
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:27.076444
MetadataModified 2024-01-11T22:50:27.238148
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-1043513122 Mcule
SCHEMBL33954 SureChEMBL
1933610 eMolecules
yohimbine DailyMed
HMDB0015464 Human Metabolome Database
95376 Brenda
8969 PubChem
CB4129677 ChemicalBook
MTBLC10093 Metabolights
14754428 PubChem: Thomson Pharma
60026147 NMRShiftDB
14852160 PubChem: Thomson Pharma
PA451946 PharmGKB
146-48-5 ACToR
LSM-2779 LINCS
2Y49VWD90Q FDA SRS
yohimbine Atlas
PD009520 ProbesDrugs
C09256 KEGG Ligand
CHEMBL15245 ChEMBL
DB01392 DrugBank
10093 ChEBI
YOHIMBINE clinicaltrials
YOHIMBINE HYDROCHLORIDE clinicaltrials
HY-12715 MedChemExpress
YOCON rxnorm
YOHIMBINE rxnorm
YOHIMBINE HYDROCHLORIDE rxnorm
YOHIMBINE DailyMed
50203564 BindingDB
50013515 BindingDB
ZZZSHG CCDC
J9.366A Nikkaji
102 Guide to Pharmacology
ZINC000003860825 ZINC
3659 DrugCentral
DTXSID9040130 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.