Dataset

Rhodamine B base; LC-ESI-QTOF; MS2; 20 V

This MassBank record with Accession MSBNK-BAFG-CSL23111027599 contains the MS2 mass spectrum of Rhodamine B base with the InChIkey DZNJMLVCIZGWSC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)32-26-18-20(30(7-3)8-4)14-16-24(26)28(23)22-12-10-9-11-21(22)27(31)33-28/h9-18H,5-8H2,1-4H3
SMILES CCN(CC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(CC)CC)C5=CC=CC=C5C(=O)O3
InChI Key DZNJMLVCIZGWSC-UHFFFAOYSA-N
Molecular Formula C28H30N2O3
Exact Mass 442.226 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111027599
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • 3',6'-bis(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3561678 ChEMBL
    ZINC000004523077 ZINC
    DTXSID3041744 EPA CompTox Dashboard
    MCULE-4161723120 Mcule
    12262-50-9 ACToR
    58093322 PubChem: Thomson Pharma
    509-34-2 ACToR
    490497 eMolecules
    62357 PubChem
    SCHEMBL52075 SureChEMBL
    FUFTIJ CCDC
    J34.966F Nikkaji
    KMK3588HID FDA SRS
    The data in this table is sourced from UniChem at EBI.