Dataset

Aristolochic acid B; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR301020 contains the MS2 mass spectrum of Aristolochic acid B with the InChIkey MEEXETVZNQYRSP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H9NO6/c18-16(19)10-6-12-15(23-7-22-12)14-9-4-2-1-3-8(9)5-11(13(10)14)17(20)21/h1-6H,7H2,(H,18,19)
SMILES OC(=O)C1=CC2=C(OCO2)C2=C1C(=CC1=CC=CC=C21)N(=O)=O
InChI Key MEEXETVZNQYRSP-UHFFFAOYSA-N
Molecular Formula C16H9NO6
Exact Mass 311.249 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR301020
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL571697 SureChEMBL
    CB4257035 ChemicalBook
    ZINC000002383163 ZINC
    475-80-9 ACToR
    BB72D5PU2Y FDA SRS
    MTBLC194149 Metabolights
    194149 ChEBI
    PD086874 ProbesDrugs
    GOR PDBe
    60028027 NMRShiftDB
    14999397 PubChem: Thomson Pharma
    108168 PubChem
    8193990 eMolecules
    CHEMBL602280 ChEMBL
    50306854 BindingDB
    HMDB0248599 Human Metabolome Database
    DTXSID00197166 EPA CompTox Dashboard
    MCULE-2320645937 Mcule
    HY-N0511 MedChemExpress
    The data in this table is sourced from UniChem at EBI.