Dataset

Tetrahydroharman-3-carboxylic acid; LC-ESI-QTOF; MS2; 110 V

This MassBank record with Accession MSBNK-BAFG-CSL23111027219 contains the MS2 mass spectrum of Tetrahydroharman-3-carboxylic acid with the InChIkey ZUPHXNBLQCSEIA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H14N2O2/c1-7-12-9(6-11(14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-5,7,11,14-15H,6H2,1H3,(H,16,17)
SMILES CC1C2=C(CC(N1)C(=O)O)C3=CC=CC=C3N2
InChI Key ZUPHXNBLQCSEIA-UHFFFAOYSA-N
Molecular Formula C13H14N2O2
Exact Mass 230.106 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111027219
Version
Author
Maintainer
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MetadataPublished 2023-11-10
Related Molecule
  • 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73530 PubChem
    16239767 PubChem: Thomson Pharma
    4264556 PubChem
    SCHEMBL504399 SureChEMBL
    5470-37-1 ACToR
    70123509 NMRShiftDB
    538928 eMolecules
    HMDB0037942 Human Metabolome Database
    MCULE-4705616168 Mcule
    CHEMBL491388 ChEMBL
    CB2376044 ChemicalBook
    172470 ChEBI
    J104.782E Nikkaji
    The data in this table is sourced from UniChem at EBI.