Dataset

Hyoscyamine

This MassBank record with Accession MSBNK-RIKEN-PR300465 contains the MS2 mass spectrum of Hyoscyamine with the InChIkey RKUNBYITZUJHSG-VFSICIBPSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1
SMILES CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)C1=CC=CC=C1
InChI Key RKUNBYITZUJHSG-VFSICIBPSA-N
Molecular Formula C17H23NO3
Exact Mass 289.375 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR300465
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:20:40.781128
MetadataModified 2025-02-09T18:39:11.469111
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
60027292 NMRShiftDB
PD045762 ProbesDrugs
154417 PubChem
LSM-2897 LINCS
29549896 eMolecules
MTBLC92712 Metabolights
CHEMBL2449003 ChEMBL
SCHEMBL1649244 SureChEMBL
92712 ChEBI
50497835 BindingDB
ZINC000000000056 ZINC
The data in this table is sourced from UniChem at EBI.