Dataset

Lactofen

This MassBank record with Accession MSBNK-Waters-WA000157 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-WA000157
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:58.880229
MetadataModified 2024-01-11T22:48:59.044761
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1243178 ChEMBL
2725247 eMolecules
62276 PubChem
CB1875737 ChemicalBook
14858207 PubChem: Thomson Pharma
77501-63-4 ACToR
143956-87-0 ACToR
83389 Brenda
162670 Brenda
CB3288630 ChemicalBook
SCHEMBL39523 SureChEMBL
HMDB0253946 Human Metabolome Database
DTXSID7024160 EPA CompTox Dashboard
L44N8UV47O FDA SRS
The data in this table is sourced from UniChem at EBI.