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