Dataset

PF369TrOxTrDA

This MassBank record with Accession MSBNK-Eawag-EQ01146056 contains the MS2 mass spectrum of PF369TrOxTrDA with the InChIkey GDQLSTSWOFAQNO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10HF19O5/c11-2(12,1(30)31)32-7(22,23)8(24,25)34-10(28,29)9(26,27)33-6(20,21)4(15,16)3(13,14)5(17,18)19/h(H,30,31)
SMILES C(=O)(C(OC(C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI Key GDQLSTSWOFAQNO-UHFFFAOYSA-N
Molecular Formula C10HF19O5
Exact Mass 561.952 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01146056
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:06:12.550732
MetadataModified 2025-02-09T10:06:12.739853
MetadataPublished 2024-05-15
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
330562-41-9 ACToR
911707 eMolecules
2760333 PubChem
SCHEMBL915267 SureChEMBL
ZINC000095697014 ZINC
DTXSID50375114 EPA CompTox Dashboard
J3.416.496G Nikkaji
The data in this table is sourced from UniChem at EBI.