Dataset

Isocarboxazid

This MassBank record with Accession MSBNK-Waters-WA002719 contains the MS mass spectrum of Isocarboxazid with the InChIkey XKFPYPQQHFEXRZ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)
SMILES	Cc(o2)cc(n2)C(=O)NNCc(c1)cccc1
InChI Key	XKFPYPQQHFEXRZ-UHFFFAOYSA-N
Molecular Formula	C12H13N3O2
Exact Mass	231.101 g/mol

Data and Resources

IsocarboxazidHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002719
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:33:29.082184
MetadataModified	2025-02-09T20:20:09.373962
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
3759	PubChem
PD009939	ProbesDrugs
34237V843T	FDA SRS
LSM-4101	LINCS
16885460	PubChem: Thomson Pharma
SCHEMBL49562	SureChEMBL
PA450101	PharmGKB
59-63-2	ACToR
1987273	eMolecules
109068	Brenda
HMDB0015377	Human Metabolome Database
isocarboxazid	DailyMed
41166	Brenda
ISOCARBOXAZID	rxnorm
MARPLAN	clinicaltrials
ISOCARBOXAZID	clinicaltrials
HY-13929	MedChemExpress
MARPLAN	rxnorm
ISOCARBOXAZID	DailyMed
J4.794E	Nikkaji
CB3500536	ChemicalBook
TOXXIN	CCDC
7204	Guide to Pharmacology
ZINC000000001587	ZINC
1490	DrugCentral
DTXSID4023171	EPA CompTox Dashboard
163692	BindingDB
93635	ChEBI
CHEMBL1201168	ChEMBL
DB01247	DrugBank
The data in this table is sourced from UniChem at EBI.