Dataset

Fosinopril

This MassBank record with Accession MSBNK-Athens_Univ-AU224709 contains the MS2 mass spectrum of Fosinopril with the InChIkey BIDNLKIUORFRQP-FKDWWROVSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C30H46NO7P/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35)/t25-,26+,30?,39?/m1/s1
SMILES O=C(CP(=O)(CCCCc1ccccc1)OC(OC(=O)CC)C(C)C)N2C[C@@H](C[C@H]2C(O)=O)C3CCCCC3
InChI Key BIDNLKIUORFRQP-FKDWWROVSA-N
Molecular Formula C30H46NO7P
Exact Mass 563.301 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU224709
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:47:41.910104
MetadataModified 2024-01-11T09:47:42.058926
MetadataPublished 2016-02-26
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL15626 SureChEMBL
5163 ChEBI
DTXSID1023079 EPA CompTox Dashboard
36552990 eMolecules
CB3151279 ChemicalBook
CB12674383 ChemicalBook
CB82674382 ChemicalBook
CHEMBL3306578 ChEMBL
PA449710 PharmGKB
HMDB0014635 Human Metabolome Database
14837610 PubChem: Thomson Pharma
55891 PubChem
8B3FLG23GN FDA SRS
PD009996 ProbesDrugs
LSM-6485 LINCS
98048-97-6 ACToR
The data in this table is sourced from UniChem at EBI.