Spectrum CCMSLIB00001058741 for Pesticide1_Temephos_C16H20O6P2S3_O,O,O',O'-Tetramethyl O,O'-(sulfanediyldi-4,1-phenylene) bis(phosphorothioate)

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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
n/a
3383-96-8
InChI=1S/C16H20O6P2S3/c1-17-23(25,18-2)21-13-5-9-15(10-6-13)27-16-11-7-14(8-12-16)22-24(26,19-3)20-4/h5-12H,1-4H3
C16H20O6P2S3
465.98972461999995
S=P(OC1=CC=C(SC2=CC=C(OP(=S)(OC)OC)C=C2)C=C1)(OC)OC
WWJZWCUNLNYYAU-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
commercial
Maxis HD qTOF
465.99
1
positive
Pesticide_mix1_BA1_01_8691.mzXML
MS2
GNPS-COLLECTIONS-PESTICIDES-POSITIVE
mwang87, Dorrestein/Touboul, lfnothias
1.1500362358079912
0.3415310961296236
488.979
[M+Na]+
1.0115362827106478 ppm
-4.946199999835699E-4 Da