Spectrum CCMSLIB00005466090 for Imazapyr_Na-Adduct

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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
C13H15N3O3
261.11134133999997
O=C(O)C=1C=CC=NC1C2=NC(C(=O)N2)(C)C(C)C
InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19)
CLQMBPJKHLGMQK-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
Orbitrap
284.101
1
f.daniel/DOM/191120_Beach-Paper_STDs/MSMS_spectra/mzxml/Imazapyr_Na-Adduct_pos.mzXML;
MS2
GNPS-LIBRARY
Daniel Petras, daniel
positive
0.1931560970208605
0.07773173170804609
284.101
[M+Na]+
0.39190287957264563 ppm
-1.113399999894682E-4 Da