Dataset

Hyoscyamine

This MassBank record with Accession MSBNK-RIKEN-PR300461 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-PR300461
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:39:13.481835
MetadataModified 2024-01-11T20:39:13.638403
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
154417 PubChem
LSM-2897 LINCS
PD045762 ProbesDrugs
60027292 NMRShiftDB
CHEMBL2449003 ChEMBL
SCHEMBL1649244 SureChEMBL
MTBLC92712 Metabolights
29549896 eMolecules
92712 ChEBI
ZINC000000000056 ZINC
50497835 BindingDB
The data in this table is sourced from UniChem at EBI.