Dataset

1,2,3,4-TETRAHYDRO-1H-PIRIDO(3,4-B)INDOLE-3-CARBOXILIC ACID; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007934 contains the MS mass spectrum of 1,2,3,4-TETRAHYDRO-1H-PIRIDO(3,4-B)INDOLE-3-CARBOXILIC ACID with the InChIkey FSNCEEGOMTYXKY-JTQLQIEISA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)/t10-/m0/s1
SMILES C1[C@H](NCC2=C1C3=CC=CC=C3N2)C(=O)O
InChI Key FSNCEEGOMTYXKY-JTQLQIEISA-N
Molecular Formula C12H12N2O2
Exact Mass 216.090 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-Fac_Eng_Univ_Tokyo-JP007934
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MetadataPublished 2016-01-19
Related Molecule
  • (3S)-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
    CHEMBL155546 ChEMBL
    TCR PDBe
    ZINC000000037835 ZINC
    CB1395455 ChemicalBook
    VIKHEC CCDC
    J261.142B Nikkaji
    14969500 PubChem: Thomson Pharma
    6052-68-2 ACToR
    42438-90-4 ACToR
    PD158986 ProbesDrugs
    60028787 NMRShiftDB
    6920044 PubChem
    512092 eMolecules
    449440 PubChem
    MCULE-3469904680 Mcule
    SCHEMBL416557 SureChEMBL
    The data in this table is sourced from UniChem at EBI.