Dataset

Captopril

This MassBank record with Accession MSBNK-RIKEN-PR304897 contains the MS2 mass spectrum of Captopril with the InChIkey FAKRSMQSSFJEIM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)
SMILES CC(CS)C(=O)N1CCCC1C(O)=O
InChI Key FAKRSMQSSFJEIM-UHFFFAOYSA-N
Molecular Formula C9H15NO3S
Exact Mass 217.288 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-PR304897
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:41:48.103037
MetadataModified 2024-01-11T20:41:48.266333
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J1.181.968K Nikkaji
SCHEMBL678794 SureChEMBL
HMDB0247169 Human Metabolome Database
1970798 eMolecules
2550 PubChem
PD055805 ProbesDrugs
CHEMBL27686 ChEMBL
MCULE-7869285453 Mcule
The data in this table is sourced from UniChem at EBI.