Spectrum CCMSLIB00001058296 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
222.06742792799997
O=S(=O)(C)C(C=NOC(O)=NC)(C)C
YRRKLBAKDXSTNC-WEVVVXLNSA-N

Mass Spectral Metadata

NameValue
LC-ESI
commercial
Q-Exactive Plus Orbitrap Res 70k
222.067
1
positive
Pesticide_Mix2_pos.mzXML
MS2
GNPS-COLLECTIONS-PESTICIDES-POSITIVE
mwang87, Dorrestein/Touboul, lfnothias
1.7068509117455073
0.45104793281149175
245.056
[M+Na]+
4.888384695553926 ppm
-0.001197927999953663 Da