Dataset

8-2-diPAP

This MassBank record with Accession MSBNK-Eawag-EQ00292351 contains the MS2 mass spectrum of 8-2-diPAP with the InChIkey AFWOYEYXUDHGHF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H9F34O4P/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-57-59(55,56)58-4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54/h1-4H2,(H,55,56)
SMILES C(COP(=O)(O)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key AFWOYEYXUDHGHF-UHFFFAOYSA-N
Molecular Formula C20H9F34O4P
Exact Mass 989.970 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-EQ00292351
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:54:38.362257
MetadataModified 2025-02-09T09:54:38.570820
MetadataPublished 2024-05-15
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
83540 ChEBI
ZINC000150344494 ZINC
DTXSID90218051 EPA CompTox Dashboard
J24.055I Nikkaji
SCHEMBL5550818 SureChEMBL
EVR4R3G17M FDA SRS
36757112 eMolecules
678-41-1 ACToR
3022253 PubChem
The data in this table is sourced from UniChem at EBI.