Spectrum CCMSLIB00000224017 for quinoxaline-2-carboxylic acid

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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/C9H6N2O2/c12-9(13)8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)
C9H6N2O2
174.042927432
O=C(O)C1=NC2=CC=CC=C2N=C1
UPUZGXILYFKSGE-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
DI-ESI
Other
qTof
174.043
1
f.danieldemarque/27_10_14_D4_POS.mgf;
MS2
GNPS-LIBRARY
danieldemarque, Giuliano Clososki, Daniel Demarque
positive
1.5154826015247804
0.4413186512592131
175.05
[M+H]+
5.126718080479462 ppm
-8.974319999879299E-4 Da