Spectrum CCMSLIB00000079187 for TETRAETHYLTHIURAM DISULFIDE

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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
Commercial
qTof
296.051
1
NCP003592_E2_F11_BE2_01_15736.mzXML
MS2
GNPS-NIH-CLINICALCOLLECTION1
negarg, Garg_Neha, Dorrestein
positive
2.488639236225195
0.5663142634337062
297.058
[M+H]+
3.0385985228221966 ppm
-9.026399999925161E-4 Da