Dataset

Dehydronifedipine

This MassBank record with Accession MSBNK-Waters-WA002605 contains the MS mass spectrum of Dehydronifedipine with the InChIkey UMQHJQGNGLQJPF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H16N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8H,1-4H3
SMILES COC(=O)c(c(C)1)c(c(c2)c(ccc2)[N+1]([O-1])=O)c(C(=O)OC)c(C)n1
InChI Key UMQHJQGNGLQJPF-UHFFFAOYSA-N
Molecular Formula C17H16N2O6
Exact Mass 344.101 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-WA002605
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:02.470596
MetadataModified 2024-01-11T22:50:02.643598
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000002530703 ZINC
15026261 PubChem: Thomson Pharma
HMDB0061041 Human Metabolome Database
CB3505238 ChemicalBook
128753 PubChem
OR3W8GT1C8 FDA SRS
YAFSOP CCDC
168902 ChEBI
MCULE-7079743401 Mcule
CHEMBL1573 ChEMBL
DTXSID9052347 EPA CompTox Dashboard
592847 eMolecules
SCHEMBL744307 SureChEMBL
67035-22-7 ACToR
PD039364 ProbesDrugs
The data in this table is sourced from UniChem at EBI.