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