Spectrum CCMSLIB00000084791 for MLS001076475-01!TETRAETHYLTHIURAM DISULFIDE97-77-8

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
C10H20N2S4
296.05093264
S=C(SSC(=S)N(CC)CC)N(CC)CC
InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
AUZONCFQVSMFAP-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
NIH Pharmacologically Active Library
qTof
296.051
1
p3-A09_GA9_01_18230.mzXML
MS2
GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE
VP/LMS, vphelan, Dorrestein
positive
4.362719298903599
0.8159026677210314
297.06
[M+H]+
3.694068538399763 ppm
0.0010973600000170336 Da