Dataset

Perphenazine (oxide)

This MassBank record with Accession MSBNK-Waters-WA002199 contains the MS mass spectrum of Perphenazine (oxide) with the InChIkey RGCVKNLCSQQDEP-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2
SMILES	OCCN(C4)CCN(C4)CCCN(c21)c(c3)c(ccc(Cl)3)Sc(cccc2)1
InChI Key	RGCVKNLCSQQDEP-UHFFFAOYSA-N
Molecular Formula	C21H26ClN3OS
Exact Mass	403.149 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-WA002199
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:50:43.270826
MetadataModified	2024-01-11T22:50:43.431502
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
LSM-2224	LINCS
FTA7XXY4EZ	FDA SRS
4748	PubChem
14903848	PubChem: Thomson Pharma
SCHEMBL42125	SureChEMBL
58-39-9	ACToR
PD000799	ProbesDrugs
593689	eMolecules
MCULE-6019566915	Mcule
HMDB0014988	Human Metabolome Database
perphenazine	DailyMed
CB6687009	ChemicalBook
ZINC000019228902	ZINC
8452	Brenda
CHEMBL567	ChEMBL
8028	ChEBI
SAM002264637	NIH Clinical Collection
209	Guide to Pharmacology
C07427	KEGG Ligand
12013414	PubChem: Drugs of the Future
DB00850	DrugBank
PA450882	PharmGKB
PERPHENAZINE	DailyMed
DTXSID1023441	EPA CompTox Dashboard
50130273	BindingDB
PERPAZ	CCDC
2113	DrugCentral
TRILAFON	clinicaltrials
PERPHENAZINE	clinicaltrials
PERPHENAZINE	rxnorm
J1.387K	Nikkaji
HY-A0077	MedChemExpress
The data in this table is sourced from UniChem at EBI.