Dataset

Zolmitriptan

This MassBank record with Accession MSBNK-Waters-WA002411 contains the MS mass spectrum of Zolmitriptan with the InChIkey ULSDMUVEXKOYBU-ZDUSSCGKSA-N.

Chemical Info

InChI	InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1
SMILES	CN(C)CCC1=CNC2=C1C=C(C=C2)C[C@H]3COC(=O)N3
InChI Key	ULSDMUVEXKOYBU-ZDUSSCGKSA-N
Molecular Formula	C16H21N3O2
Exact Mass	287.163 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002411
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:49:42.402798
MetadataModified	2025-02-09T20:22:45.466529
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CB3313219	ChemicalBook
zolmitriptan	DailyMed
HMDB0014460	Human Metabolome Database
60857	PubChem
PD000525	ProbesDrugs
2FS66TH3YW	FDA SRS
LSM-3208	LINCS
139264-17-8	ACToR
14897880	PubChem: Thomson Pharma
Zolmitriptan(Zomig)	Selleck
14922369	PubChem: Thomson Pharma
SCHEMBL33336	SureChEMBL
2729142	eMolecules
ZOMIG	rxnorm
ZOMIG	clinicaltrials
311-C-90	clinicaltrials
311C90	clinicaltrials
ZOLMITRIPTAN	clinicaltrials
DTXSID8045933	EPA CompTox Dashboard
2869	DrugCentral
ZINC000000015515	ZINC
J694.097H	Nikkaji
TIBNEY	CCDC
50033383	BindingDB
ZOLMITRIPTAN	DailyMed
ZOLMITRIPTAN	rxnorm
DB00315	DrugBank
CHEMBL1185	ChEMBL
SAM001246841	NIH Clinical Collection
10124	ChEBI
60	Guide to Pharmacology
C07218	KEGG Ligand
12014671	PubChem: Drugs of the Future
The data in this table is sourced from UniChem at EBI.