Dataset

Diroximel Fumarate; LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01141603 contains the MS2 mass spectrum of Diroximel Fumarate with the InChIkey YIMYDTCOUQIDMT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H13NO6/c1-17-10(15)4-5-11(16)18-7-6-12-8(13)2-3-9(12)14/h4-5H,2-3,6-7H2,1H3
SMILES COC(=O)C=CC(=O)OCCN1C(=O)CCC1=O
InChI Key YIMYDTCOUQIDMT-UHFFFAOYSA-N
Molecular Formula C11H13NO6
Exact Mass 255.074 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-EQ01141603
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MetadataPublished 2023-08-10
Related Molecule
  • 4-O-[2-(2,5-dioxopyrrolidin-1-yl)ethyl] 1-O-methyl but-2-enedioate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL15511916 SureChEMBL
    PD062937 ProbesDrugs
    129317826 PubChem
    The data in this table is sourced from UniChem at EBI.