Spectrum CCMSLIB00001058722 for Pesticide5_Thiamethoxam_C8H10ClN5O3S_4H-1,3,5-Oxadiazin-4-imine, 3-[(2-chloro-5-thiazolyl)methyl]tetrahydro-5-methyl-N-nitro-, (4E)-

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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
153719-23-4
n/a
InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+
C8H10ClN5O3S
291.01928785999996
O=N(=O)N=C1N(C)COCN1CC=2SC(Cl)=NC2
NWWZPOKUUAIXIW-DHZHZOJOSA-N

Mass Spectral Metadata

NameValue
Q-Exactive Plus Orbitrap Res 70k
291.019
1
positive
Pesticide_Mix5_pos.mzXML
MS2
GNPS-COLLECTIONS-PESTICIDES-POSITIVE
mwang87, Dorrestein/Touboul, lfnothias
1.8782761153056102
0.5025259873472343
314.008
[M+Na]+
3.368895060008263 ppm
-0.0010578600000030747 Da