Dataset

ADV-N5

This MassBank record with Accession MSBNK-Eawag-EQ01168254 contains the MS2 mass spectrum of ADV-N5 with the InChIkey HWPVWYVBOOKNTN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17HClF32O7/c18-3(21,8(26,27)28)13(41,42)57-17(49,50)7(25,12(38,39)40)56-16(47,48)6(24,11(35,36)37)55-15(45,46)5(23,10(32,33)34)54-14(43,44)4(22,9(29,30)31)53-2(19,20)1(51)52/h(H,51,52)
SMILES C(=O)(C(OC(C(OC(C(OC(C(OC(C(OC(C(C(F)(F)F)(F)Cl)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)O
InChI Key HWPVWYVBOOKNTN-UHFFFAOYSA-N
Molecular Formula C17HClF32O7
Exact Mass 959.890 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-EQ01168254
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:08:54.653965
MetadataModified 2025-02-09T10:08:54.846653
MetadataPublished 2024-05-15
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
169447946 PubChem
The data in this table is sourced from UniChem at EBI.