Dataset

4-METHYLTHIAZOLE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007787 contains the MS mass spectrum of 4-METHYLTHIAZOLE with the InChIkey QMHIMXFNBOYPND-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3
SMILES Cc(n1)csc1
InChI Key QMHIMXFNBOYPND-UHFFFAOYSA-N
Molecular Formula C4H5NS
Exact Mass 99.014 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-JP007787
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:32.998034
MetadataModified 2024-01-11T15:56:33.145266
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-3711308900 Mcule
J539H Nikkaji
KAWMII CCDC
20200785 NMRShiftDB
SCHEMBL27968 SureChEMBL
12748 PubChem
15412720 PubChem: Thomson Pharma
693-95-8 ACToR
X8S174990R FDA SRS
50016815 BindingDB
ZINC000001675771 ZINC
DTXSID5027300 EPA CompTox Dashboard
HMDB0033116 Human Metabolome Database
CB1469428 ChemicalBook
486996 eMolecules
CHEMBL1566946 ChEMBL
35626 ChEBI
The data in this table is sourced from UniChem at EBI.