Dataset

5-Methyltryptamine; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80505 contains the MS mass spectrum of 5-Methyltryptamine with the InChIkey PYOUAIQXJALPKW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H14N2/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
SMILES CC1=CC2=C(C=C1)NC=C2CCN
InChI Key PYOUAIQXJALPKW-UHFFFAOYSA-N
Molecular Formula C11H14N2
Exact Mass 174.116 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80505
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-(5-methyl-1H-indol-3-yl)ethanamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL331241 ChEMBL
    125675 ChEBI
    DTXSID10171250 EPA CompTox Dashboard
    ZINC000000066085 ZINC
    J46.768E Nikkaji
    MTBLC125675 Metabolights
    50073691 BindingDB
    LSM-37242 LINCS
    CB4163374 ChemicalBook
    15760 PubChem
    PD093943 ProbesDrugs
    15388938 PubChem: Thomson Pharma
    1821-47-2 ACToR
    SCHEMBL1129793 SureChEMBL
    710260 eMolecules
    MCULE-5312670019 Mcule
    66960 Brenda
    25167 Brenda
    CVW PDBe
    The data in this table is sourced from UniChem at EBI.