Dataset

Lactofen

This MassBank record with Accession MSBNK-Waters-WA000159 contains the MS2 mass spectrum of Lactofen with the InChIkey CONWAEURSVPLRM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H15ClF3NO7/c1-3-29-17(25)10(2)30-18(26)13-9-12(5-6-15(13)24(27)28)31-16-7-4-11(8-14(16)20)19(21,22)23/h4-10H,3H2,1-2H3
SMILES CCOC(=O)C(C)OC(=O)c(c1)c(N(=O)=O)ccc(Oc(c2)c(Cl)cc(c2)C(F)(F)F)1
InChI Key CONWAEURSVPLRM-UHFFFAOYSA-N
Molecular Formula C19H15ClF3NO7
Exact Mass 461.049 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-WA000159
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:17.758055
MetadataModified 2025-02-09T20:16:16.110521
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1243178 ChEMBL
CB3288630 ChemicalBook
HMDB0253946 Human Metabolome Database
DTXSID7024160 EPA CompTox Dashboard
L44N8UV47O FDA SRS
62276 PubChem
CB1875737 ChemicalBook
14858207 PubChem: Thomson Pharma
77501-63-4 ACToR
143956-87-0 ACToR
2725247 eMolecules
SCHEMBL39523 SureChEMBL
162670 Brenda
83389 Brenda
The data in this table is sourced from UniChem at EBI.