Dataset
Captopril
Chemical Info
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)/t6-,7+/m1/s1 |
---|---|
SMILES | SCC(C)C(=O)N(C1)C(CC1)C(O)=O |
InChI Key | FAKRSMQSSFJEIM-RQJHMYQMSA-N |
Molecular Formula | C9H15NO3S |
Exact Mass | 217.077 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-WA001953 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:50:20.117679 |
MetadataModified | 2024-01-11T22:50:20.298718 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |