Dataset

Tryptamine

This MassBank record with Accession MSBNK-Waters-WA002435 contains the MS mass spectrum of Tryptamine with the InChIkey APJYDQYYACXCRM-UHFFFAOYSA-N.

Chemical Info

molecular Image
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
SMILES C1=CC=C2C(=C1)C(=CN2)CCN
InChI Key APJYDQYYACXCRM-UHFFFAOYSA-N
Molecular Formula C10H12N2
Exact Mass 160.100 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002435
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:56.775588
MetadataModified 2024-01-11T22:49:56.935362
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB8192006 ChemicalBook
MTBLC16765 Metabolights
63178 Brenda
363 Brenda
HMDB0000303 Human Metabolome Database
ZINC000000120144 ZINC
50024210 BindingDB
HY-B2132 MedChemExpress
DTXSID2075340 EPA CompTox Dashboard
1150 PubChem
PD000807 ProbesDrugs
SCHEMBL26725 SureChEMBL
14891690 PubChem: Thomson Pharma
422ZU9N5TV FDA SRS
J4.816J Nikkaji
MCULE-6402431765 Mcule
XUDTOF CCDC
20143557 NMRShiftDB
DB08653 DrugBank
C00398 KEGG Ligand
CHEMBL6640 ChEMBL
16765 ChEBI
TSS PDBe
125 Guide to Pharmacology
487234 eMolecules
The data in this table is sourced from UniChem at EBI.