Dataset

Phenytoin

This MassBank record with Accession MSBNK-Waters-WA001886 contains the MS mass spectrum of Phenytoin with the InChIkey CXOFVDLJLONNDW-UHFFFAOYSA-N.

InChI	InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
SMILES	O=C(N3)NC(C(=O)3)(c(c2)cccc2)c(c1)cccc1
InChI Key	CXOFVDLJLONNDW-UHFFFAOYSA-N
Molecular Formula	C15H12N2O2
Exact Mass	252.090 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001886
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:44:48.307366
MetadataModified	2024-01-11T22:44:48.460299
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB00252	DrugBank
C07443	KEGG Ligand
CHEMBL16	ChEMBL
2624	Guide to Pharmacology
507449	eMolecules
13434342	eMolecules
5420227	eMolecules
1775	PubChem
PD002756	ProbesDrugs
256547	Brenda
phenytoin	Atlas
6158TKW0C5	FDA SRS
LSM-5663	LINCS
14847761	PubChem: Thomson Pharma
57-41-0	ACToR
SCHEMBL3440	SureChEMBL
PA450947	PharmGKB
Phenytoin-Lepitoin	Selleck
125-59-7	ACToR
PHYDAN	CCDC
MCULE-2376673346	Mcule
8107	ChEBI
10021980	NMRShiftDB
J2.325F	Nikkaji
CB3139264	ChemicalBook
HMDB0014397	Human Metabolome Database
43502	Brenda
103877	Brenda
49993	Brenda
DTXSID8020541	EPA CompTox Dashboard
108876	Brenda
phenytoin	DailyMed
50101816	BindingDB
10642	Brenda
ZINC000002510358	ZINC
50003655	BindingDB
PHENYTOIN	DailyMed
PHENYTOIN SODIUM	rxnorm
PHENYTOIN	rxnorm
PHENYTEK	rxnorm
DILANTIN	rxnorm
146015336	PubChem
PHENYTEK	clinicaltrials
PHENYTOIN	clinicaltrials
PHENYTOIN SODIUM	clinicaltrials
DILANTIN	clinicaltrials
EPAMIN	clinicaltrials
HY-B0448	MedChemExpress
2152	DrugCentral
The data in this table is sourced from UniChem at EBI.