Spectrum CCMSLIB00005435779 for Ethylenediaminetetraacetic acid EDTA

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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
InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
C10H16N2O8
292.09066547199996
O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O
KCXVZYZYPLLWCC-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Crude
qTof
0.0
1
f.MSV000082630/ccms_peak/raw_files/samples/Subject_32/18NAVY32_6_plasma.mzML;
MS2
GNPS-LIBRARY
Dorrestein, lfnothias
positive
1.6373753020437158
0.4724466456665075
293.097
[M+H]+
5.579968406279764 ppm
-0.0016354719999753797 Da