Dataset

Acenocoumarol

This MassBank record with Accession MSBNK-Waters-WA001214 contains the MS mass spectrum of Acenocoumarol with the InChIkey VABCILAOYCMVPS-HNNXBMFYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3/t15-/m0/s1
SMILES CC(=O)CC(c(c3)ccc(N(=O)=O)c3)C(C(=O)1)=C(O)c(c2)c(ccc2)O1
InChI Key VABCILAOYCMVPS-HNNXBMFYSA-N
Molecular Formula C19H15NO6
Exact Mass 353.090 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-WA001214
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:46:26.423867
MetadataModified 2024-01-11T22:46:26.611591
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
16255819 PubChem: Thomson Pharma
54683745 PubChem
PD020792 ProbesDrugs
MCULE-8509992526 Mcule
DTXSID20859299 EPA CompTox Dashboard
ZINC000100015192 ZINC
4O90VF03HV FDA SRS
53769 ChEBI
10690764 eMolecules
The data in this table is sourced from UniChem at EBI.