Spectrum CCMSLIB00001058778 for Pesticide4_Mepanipyrim_C14H13N3_

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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
110235-47-7
n/a
InChI=1S/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17)
C14H13N3
223.110947416
C(#CC)C=1N=C(N=C(C1)C)NC=2C=CC=CC2
CIFWZNRJIBNXRE-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
Q-Exactive Plus Orbitrap Res 14k
223.111
1
positive
Pesticide_Mix4_pos_14k.mzXML
MS2
GNPS-COLLECTIONS-PESTICIDES-POSITIVE
mwang87, Dorrestein/Touboul, lfnothias
1.3518908437718715
0.3405016238623039
224.118
[M+H]+
4.093450771437164 ppm
-9.174159999929543E-4 Da