Dataset

SAmPAP

This MassBank record with Accession MSBNK-Eawag-EQ01161352 contains the MS2 mass spectrum of SAmPAP with the InChIkey JRSUJBJSUYPODE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H11F17NO6PS/c1-2-30(3-4-36-37(31,32)33)38(34,35)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h2-4H2,1H3,(H2,31,32,33)
SMILES CCN(CCOP(=O)(O)O)S(=O)(=O)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 JRSUJBJSUYPODE-UHFFFAOYSA-N
Molecular Formula C12H11F17NO6PS
Exact Mass 650.977 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-EQ01161352
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:11:49.258896
MetadataModified 2025-02-09T10:11:49.459291
MetadataPublished 2024-05-15
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
No additional information available for this Dataset.