Dataset

N-Nitrosofenfluramine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU211603 contains the MS2 mass spectrum of N-Nitrosofenfluramine with the InChIkey JVGWNJLSTCQSCZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H15F3N2O/c1-3-17(16-18)9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9H,3,7H2,1-2H3
SMILES C1=C(C=C(C=C1)CC(C)N(N=O)CC)C(F)(F)F
InChI Key JVGWNJLSTCQSCZ-UHFFFAOYSA-N
Molecular Formula C12H15F3N2O
Exact Mass 260.114 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-Athens_Univ-AU211603
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MetadataPublished 2015-12-05
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5WDC74B71K FDA SRS
    HMDB0255206 Human Metabolome Database
    101196224 PubChem
    DTXSID20891492 EPA CompTox Dashboard
    J1.799.196E Nikkaji
    The data in this table is sourced from UniChem at EBI.