Dataset

6-2-FTAB

This MassBank record with Accession MSBNK-Eawag-EQ01146101 contains the MS2 mass spectrum of 6-2-FTAB with the InChIkey OKOCIUJVPQKDLL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H19F13N2O4S/c1-30(2,8-9(31)32)6-3-5-29-35(33,34)7-4-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h29H,3-8H2,1-2H3
SMILES C[N+](C)(CCCNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)[O-]
InChI Key OKOCIUJVPQKDLL-UHFFFAOYSA-N
Molecular Formula C15H19F13N2O4S
Exact Mass 570.086 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-EQ01146101
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:56:01.313819
MetadataModified 2025-02-09T09:56:01.499618
MetadataPublished 2024-05-15
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
34455-29-3 ACToR
139596175 PubChem
118691 PubChem
K7YO4672FB FDA SRS
DTXSID4041284 EPA CompTox Dashboard
SCHEMBL18130715 SureChEMBL
The data in this table is sourced from UniChem at EBI.