Spectrum CCMSLIB00004684328 for Glyphosate [M+Na+]

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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
C3H8NO5P
169.014008986
O=C(O)CNCP(=O)(O)O
InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)
XDDAORKBJWWYJS-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
Orbitrap
0.0
1
f.daniel/Singel_Spectrum_Upload/Spectrum_Glyphosate_Na.mgf;
MS2
GNPS-LIBRARY
Daniel Petras, Pieter Dorrestein, daniel
positive
1.1347001220463955
0.44238694956900765
192.002
[M+Na]+
9.265455568049354 ppm
-0.0017789859999766122 Da