Dataset

Rhodamine 6G; ESI-QTOF; MS2; CE: 20; [M-H]-

This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT001406 contains the MS2 mass spectrum of Rhodamine 6G with the InChIkey BRIVWQJCHBUVLE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C28H31N2O3/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25/h9-16,29-30H,6-8H2,1-5H3/q+1
SMILES CC1=CC2=C(C3C=C(C)C(=CC=3[O+]=C2C=C1NCC)NCC)C1C=CC=CC=1C(=O)OCC
InChI Key BRIVWQJCHBUVLE-UHFFFAOYSA-N
Molecular Formula [C28H31N2O3]+
Exact Mass 443.233 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-EPA-ENTACT_AGILENT001406
Version
Author
Maintainer
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MetadataPublished 2023-09-19
Related Molecule
  • nfdi4chem-mol32395(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:52895 chebi
    CHEMBL5315987 chembl
    574881 surechembl
    923TYK19HG fdasrs
    PD007728 probes_and_drugs
    The data in this table is sourced from UniChem at EBI.