Dataset

5-Methyltryptamine

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 Info

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

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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
Language
MetadataCreated	2024-01-11T22:16:03.862115
MetadataModified	2025-02-09T20:11:11.662920
MetadataPublished	2016-01-19
Related Molecule

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.