Dataset

7-Amino-4-methylcoumarin; LC-ESI-QTOF; MS2; 70 V

This MassBank record with Accession MSBNK-BAFG-CSL23111027770 contains the MS2 mass spectrum of 7-Amino-4-methylcoumarin with the InChIkey GLNDAGDHSLMOKX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3
SMILES CC1=CC(=O)OC2=C1C=CC(=C2)N
InChI Key GLNDAGDHSLMOKX-UHFFFAOYSA-N
Molecular Formula C10H9NO2
Exact Mass 175.063 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111027770
Version
Author
Maintainer
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MetadataPublished 2023-11-10
Related Molecule
  • 7-amino-4-methylchromen-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    92249 PubChem
    PD004681 ProbesDrugs
    14940817 PubChem: Thomson Pharma
    SCHEMBL37677 SureChEMBL
    476503 eMolecules
    9084 Brenda
    33359 Brenda
    3030 Brenda
    59580 Brenda
    154304 Brenda
    18874 Brenda
    DTXSID40885333 EPA CompTox Dashboard
    CB4354765 ChemicalBook
    73 Brenda
    12120 Brenda
    15034 Brenda
    MCULE-1617391219 Mcule
    CHEMBL270672 ChEMBL
    C01386 KEGG Ligand
    51771 ChEBI
    MCM PDBe
    DB08168 DrugBank
    21065 Brenda
    HY-D0027 MedChemExpress
    240837 Brenda
    OCY3JCT44X FDA SRS
    71742 BindingDB
    J150.531I Nikkaji
    HMDB0247230 Human Metabolome Database
    WIKDEZ CCDC
    ZINC000000057949 ZINC
    The data in this table is sourced from UniChem at EBI.