Spectrum CCMSLIB00001058370 for Pesticide3_Carbofuran_C12H15NO3_Furadan

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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
1563-66-2
n/a
InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)
C12H15NO3
221.10519333999997
OC(=NC)OC1=CC=CC2=C1OC(C)(C)C2
DUEPRVBVGDRKAG-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
commercial
Maxis HD qTOF
221.105
1
positive
Pesticide_mix3_BA3_01_8693.mzXML
MS2
GNPS-COLLECTIONS-PESTICIDES-POSITIVE
mwang87, Dorrestein/Touboul, lfnothias
2.2339929019470826
0.38443274817235873
222.112
[M+H]+
5.237627863315096 ppm
-0.0011633399999766425 Da