Dataset

ORTHO-TOLUENESULFONAMIDE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010795 contains the MS mass spectrum of ORTHO-TOLUENESULFONAMIDE with the InChIkey YCMLQMDWSXFTIF-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
SMILES	Cc(c1)c(ccc1)S(N)(=O)=O
InChI Key	YCMLQMDWSXFTIF-UHFFFAOYSA-N
Molecular Formula	C7H9NO2S
Exact Mass	171.035 g/mol

Data and Resources

ORTHO-TOLUENESULFONAMIDEHTML
Explore
- More information
- Go to resource

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-JP010795
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:56:12.767295
MetadataModified	2024-01-11T15:56:12.944410
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
IEJ	PDBe
20097648	NMRShiftDB
MCULE-8856156817	Mcule
6924	PubChem
SCHEMBL7369	SureChEMBL
J3.544K	Nikkaji
14867514	PubChem: Thomson Pharma
PD055397	ProbesDrugs
8013-74-9	ACToR
R81Z6V889P	FDA SRS
88-19-7	ACToR
CB7932654	ChemicalBook
90750087	PubChem
DTXSID7021362	EPA CompTox Dashboard
O-TOLUENESULFONAMIDE	rxnorm
ZZZULS	CCDC
35999	BindingDB
ZINC000002567980	ZINC
CB2854539	ChemicalBook
492297	eMolecules
CHEMBL176892	ChEMBL
The data in this table is sourced from UniChem at EBI.