Dataset

Papaverine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00076 contains the MS2 mass spectrum of Papaverine with the InChIkey XQYZDYMELSJDRZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
SMILES COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC
InChI Key XQYZDYMELSJDRZ-UHFFFAOYSA-N
Molecular Formula C20H21NO4
Exact Mass 339.147 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00076
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:25:04.852440
MetadataModified 2024-01-11T22:25:05.014018
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD009799 ProbesDrugs
papaverine Atlas
DAA13NKG2Q FDA SRS
LSM-2338 LINCS
14875623 PubChem: Thomson Pharma
SCHEMBL34702 SureChEMBL
PA164745550 PharmGKB
58-74-2 ACToR
10017664 NMRShiftDB
28241 ChEBI
J10.638K Nikkaji
MVERIQ CCDC
MCULE-9598291893 Mcule
MTBLC28241 Metabolights
1540 Brenda
4680 PubChem
papaverine DailyMed
HMDB0015245 Human Metabolome Database
70552 Brenda
14754 BindingDB
PAPAVERINE DailyMed
PAPAVERINE HYDROCHLORIDE rxnorm
PAPAVERINE rxnorm
ZINC000000056555 ZINC
PAPAVERINE clinicaltrials
DTXSID4023418 EPA CompTox Dashboard
2056 DrugCentral
PAPAVERINE HYDROCHLORIDE clinicaltrials
CHEMBL19224 ChEMBL
EV1 PDBe
C06533 KEGG Ligand
DB01113 DrugBank
872780 eMolecules
The data in this table is sourced from UniChem at EBI.