Dataset

3-amino-5-methylisoxazole

This MassBank record with Accession MSBNK-UvA_IBED-UI000301 contains the MS2 mass spectrum of 3-amino-5-methylisoxazole with the InChIkey FKPXGNGUVSHWQQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C4H6N2O/c1-3-2-4(5)6-7-3/h2H,1H3,(H2,5,6)
SMILES Cc1cc(N)no1
InChI Key FKPXGNGUVSHWQQ-UHFFFAOYSA-N
Molecular Formula C4H6N2O
Exact Mass 98.048 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UvA_IBED-UI000301
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T19:56:37.828672
MetadataModified 2025-02-09T19:56:37.992106
MetadataPublished 2024-08-27
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
20044506 NMRShiftDB
66172 PubChem
MCULE-4538523254 Mcule
J80.140B Nikkaji
SCHEMBL21901989 SureChEMBL
NOSZED CCDC
ZINC000016981047 ZINC
DTXSID9021631 EPA CompTox Dashboard
SCHEMBL94082 SureChEMBL
CHEMBL3183354 ChEMBL
CB5397215 ChemicalBook
15218728 PubChem: Thomson Pharma
16178001 PubChem: Thomson Pharma
G54MJS11L9 FDA SRS
PD065544 ProbesDrugs
M3I PDBe
490332 eMolecules
1072-67-9 ACToR
The data in this table is sourced from UniChem at EBI.