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 https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN111415
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:30:20.589877
MetadataModified 2025-02-08T18:51:01.447094
MetadataPublished 2021-08-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL42702 SureChEMBL
J10.678J Nikkaji
ACETYLTRIETHYL CITRATE rxnorm
ZINC000003875492 ZINC
DTXSID5044576 EPA CompTox Dashboard
6504 PubChem
CB5483819 ChemicalBook
14850398 PubChem: Thomson Pharma
5WBR36T90E FDA SRS
77-89-4 ACToR
CHEMBL2105928 ChEMBL
503663 eMolecules
The data in this table is sourced from UniChem at EBI.