Spectrum CCMSLIB00001058524 for Pesticide2_Aldicarb sulfone_C7H14N2O4S_Propanal, 2-methyl-2-(methylsulfonyl)-, O-[(methylamino)carbonyl]oxime, (1E)-

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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
1646-88-4
n/a
InChI=1S/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+
C7H14N2O4S
222.067427928
O=S(=O)(C)C(C=NOC(O)=NC)(C)C
YRRKLBAKDXSTNC-WEVVVXLNSA-N

Mass Spectral Metadata

NameValue
MS2
LC-ESI
commercial
Maxis HD qTOF
222.067
1
positive
Pesticide_mix2_BA2_01_8692.mzXML
GNPS-COLLECTIONS-PESTICIDES-POSITIVE
mwang87, Dorrestein/Touboul, lfnothias
2.0225550390630436
0.5070351286075152
245.056
[M+Na]+
4.888384695669906 ppm
-0.0011979279999820847 Da