Dataset

Protriptyline

This MassBank record with Accession MSBNK-Waters-WA000283 contains the MS mass spectrum of Protriptyline with the InChIkey BWPIARFWQZKAIA-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3
SMILES	CNCCCC(c21)c(c3)c(ccc3)C=Cc(cccc2)1
InChI Key	BWPIARFWQZKAIA-UHFFFAOYSA-N
Molecular Formula	C19H21N
Exact Mass	263.167 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-WA000283
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:50:10.011353
MetadataModified	2024-01-11T22:50:10.176169
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL668	ChEMBL
8597	ChEBI
C07408	KEGG Ligand
DB00344	DrugBank
HMDB0014488	Human Metabolome Database
DTXSID0023535	EPA CompTox Dashboard
CB0774981	ChemicalBook
protriptyline	DailyMed
66192	Brenda
ZINC000001530764	ZINC
2320	DrugCentral
MCULE-6023848462	Mcule
PROTRIPTYLINE HYDROCHLORIDE	clinicaltrials
PROTRIPTYLINE	clinicaltrials
VIVACTIL	clinicaltrials
PROTRIPTYLINE HYDROCHLORIDE	rxnorm
PROTRIPTYLINE	rxnorm
PROTRIPTYLINE	DailyMed
50176062	BindingDB
4976	PubChem
PD010089	ProbesDrugs
4NDU154T12	FDA SRS
LSM-2936	LINCS
SCHEMBL34267	SureChEMBL
PA451168	PharmGKB
15221639	PubChem: Thomson Pharma
438-60-8	ACToR
7285	Guide to Pharmacology
J5.739H	Nikkaji
The data in this table is sourced from UniChem at EBI.