Dataset

Serotonin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82170 contains the MS mass spectrum of Serotonin with the InChIkey QZAYGJVTTNCVMB-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
SMILES	C1=CC2=C(C=C1O)C(=CN2)CCN
InChI Key	QZAYGJVTTNCVMB-UHFFFAOYSA-N
Molecular Formula	C10H12N2O
Exact Mass	176.095 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-BML82170
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:24:31.023344
MetadataModified	2024-01-11T22:24:31.213225
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
5202	PubChem
60019738	NMRShiftDB
PD013329	ProbesDrugs
15120541	PubChem: Thomson Pharma
LSM-6589	LINCS
333DO1RDJY	FDA SRS
MCULE-8788459983	Mcule
J4.107F	Nikkaji
JECDII	CCDC
SCHEMBL1495	SureChEMBL
ZINC000000057058	ZINC
10755	BindingDB
SEROTONIN	DailyMed
SEROTONIN	rxnorm
DTXSID8075330	EPA CompTox Dashboard
SEROTONIN	clinicaltrials
51429	Brenda
11272	Brenda
CB6119335	ChemicalBook
DB08839	DrugBank
HMDB0000259	Human Metabolome Database
437	Brenda
11850	Brenda
MTBLC28790	Metabolights
1669	Brenda
28790	ChEBI
C00780	KEGG Ligand
SRO	PDBe
5	Guide to Pharmacology
CHEMBL39	ChEMBL
969219	eMolecules
The data in this table is sourced from UniChem at EBI.