Dataset

Acetyltriethyl citrate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN111415 contains the MS2 mass spectrum of Acetyltriethyl citrate with the InChIkey WEAPVABOECTMGR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H22O8/c1-5-19-11(16)8-14(22-10(4)15,13(18)21-7-3)9-12(17)20-6-2/h5-9H2,1-4H3
SMILES CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)OC(=O)C
InChI Key WEAPVABOECTMGR-UHFFFAOYSA-N
Molecular Formula C14H22O8
Exact Mass 318.132 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN111415
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:30:20.589877
MetadataModified 2024-01-11T09:30:20.757464
MetadataPublished 2021-08-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
14850398 PubChem: Thomson Pharma
5WBR36T90E FDA SRS
77-89-4 ACToR
CHEMBL2105928 ChEMBL
503663 eMolecules
ZINC000003875492 ZINC
J10.678J Nikkaji
ACETYLTRIETHYL CITRATE rxnorm
DTXSID5044576 EPA CompTox Dashboard
6504 PubChem
CB5483819 ChemicalBook
SCHEMBL42702 SureChEMBL
The data in this table is sourced from UniChem at EBI.