Spectrum CCMSLIB00001058422 for Pesticide2_Benfuracarb_C20H30N2O5S_Oncol

Rating: (*)★(*)★(*)★(*)★(*)☆

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
82560-54-1
n/a
InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3
C20H30N2O5S
410.18754306
O=C(OC1=CC=CC2=C1OC(C)(C)C2)N(SN(CCC(=O)OCC)C(C)C)C
FYZBOYWSHKHDMT-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
commercial
Q-Exactive Plus Orbitrap Res 14k
410.188
1
positive
Pesticide_Mix2_pos_14k.mzXML
MS2
GNPS-COLLECTIONS-PESTICIDES-POSITIVE
mwang87, Dorrestein/Touboul, lfnothias
2.3740069676152094
0.6166015470577764
428.222
[M+NH4]+
9.628323626624434 ppm
-0.004123060000040368 Da