Dataset

Scopolamine

This MassBank record with Accession MSBNK-Waters-WA002402 contains the MS mass spectrum of Scopolamine with the InChIkey STECJAGHUSJQJN-FWXGHANASA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15-,16+/m1/s1
SMILES OCC(c(c4)cccc4)C(=O)OC(C2)CC(N(C)3)C(O1)C1C23
InChI Key STECJAGHUSJQJN-FWXGHANASA-N
Molecular Formula C17H21NO4
Exact Mass 303.147 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-WA002402
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:36:19.742225
MetadataModified 2025-02-09T20:22:46.472903
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
16794 ChEBI
CHEMBL569713 ChEMBL
330 Guide to Pharmacology
SCOPOLAMINE DailyMed
50240039 BindingDB
SCOPOLAMINE rxnorm
ISOPTO HYOSCINE rxnorm
SCOPOLAMINE HYDROBROMIDE rxnorm
TRANSDERM SCOP rxnorm
HYOSCINE clinicaltrials
HYOSCINE HYDROBROMIDE clinicaltrials
HYOSCINE HYDROBROMIDE TRIHYDRATE clinicaltrials
SCOPOLAMINE clinicaltrials
SCOPOLAMINE HYDROBROMIDE clinicaltrials
SCOPOLAMINE HYDROBROMIDE TRIHYDRATE clinicaltrials
TRANSDERM-SCOP clinicaltrials
ISOPTO HYOSCINE clinicaltrials
DTXSID6023573 EPA CompTox Dashboard
60026753 NMRShiftDB
OW0 PDBe
PD009834 ProbesDrugs
DB00747 DrugBank
152161014 PubChem: Thomson Pharma
51-34-3 ACToR
16821414 PubChem: Thomson Pharma
DL48G20X8X FDA SRS
16794 Rhea
HMDB0003573 Human Metabolome Database
5612 Brenda
MTBLC16794 Metabolights
ZINC000100037020 ZINC
LSM-46039 LINCS
SCHEMBL16226 SureChEMBL
The data in this table is sourced from UniChem at EBI.