Spectrum CCMSLIB00001058690 for Pesticide1_Mevinphos Isomer 1*_C7H13O6P_2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, methyl ester, (2E)-

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
7786-34-7
n/a
InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5+
C7H13O6P
224.044974766
O=C(OC)C=C(OP(=O)(OC)OC)C
GEPDYQSQVLXLEU-AATRIKPKSA-N

Mass Spectral Metadata

NameValue
LC-ESI
commercial
Q-Exactive Plus Orbitrap Res 70k
224.045
1
positive
Pesticide_Mix1_pos.mzXML
MS2
GNPS-COLLECTIONS-PESTICIDES-POSITIVE
mwang87, Dorrestein/Touboul, lfnothias
0.7922318463157458
0.23527242223886463
225.052
[M+H]+
4.197989797928847 ppm
-9.44766000003483E-4 Da