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Endogenous (decomp - Tryptamine Homolog)
SpectraBase Compound ID GwuYTFs5N50
InChI InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
InChIKey APJYDQYYACXCRM-UHFFFAOYSA-N
Mol Weight 160.22 g/mol
Molecular Formula C10H12N2
Exact Mass 160.100048 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DqJDBpYJn1m
Name Tryptamine
Acquisition Mode SIMULTANEOUS
CAS Registry Number 343-94-2 34685-69-3 61-54-1
ChEBI ID 16765
Comments saturated N/A Tryptamine - vendor: Sigma T-9511; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz (Data collected by Madison Metabolomics Consortium)
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C10H12N2
IUPAC Name 2-(1H-indol-3-yl)ethanamine
InChI InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
InChIKey APJYDQYYACXCRM-UHFFFAOYSA-N
KEGG Compound ID C00398
KEGG Pathways PATH: map00380 Tryptophan metabolism PATH: map00900 Terpenoid biosynthesis PATH: map00901 Indole and ipecac alkaloid biosynthesis PATH: map04080 Neuroactive ligand-receptor interaction
PubChem Compound ID 1150
SMILES C1=CC=C2C(=C1)C(=CN2)CCN
Source File Reference bmse000207