Dataset

ACETAMIDOTHIAZOLE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011888 contains the MS mass spectrum of ACETAMIDOTHIAZOLE with the InChIkey WXPLRSVMGRAIGW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C5H6N2OS/c1-4(8)7-5-6-2-3-9-5/h2-3H,1H3,(H,6,7,8)
SMILES CC(=O)Nc(n1)scc1
InChI Key WXPLRSVMGRAIGW-UHFFFAOYSA-N
Molecular Formula C5H6N2OS
Exact Mass 142.020 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP011888
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:47.515809
MetadataModified 2024-01-11T15:56:47.682750
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
2719-23-5 ACToR
526887 eMolecules
15120070 PubChem: Thomson Pharma
17625 PubChem
O94697VKTV FDA SRS
15437301 PubChem: Thomson Pharma
SCHEMBL115951 SureChEMBL
20209528 NMRShiftDB
MCULE-2195241325 Mcule
CB7408708 ChemicalBook
DTXSID3062607 EPA CompTox Dashboard
ZINC000000125033 ZINC
WPY PDBe
YODJAD CCDC
J37.302H Nikkaji
The data in this table is sourced from UniChem at EBI.