Spectrum MoNA031869 for OROTIC 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
PXQPEWDEAKTCGB-UHFFFAOYSA-N
C5H4N2O4
156.017106608
O=C(O)C=1N=C(O)N=C(O)C1
InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)

Mass Spectral Metadata

NameValue
C5H4N2O4
MS2
LC-ESI-QTOF
Agilent qTOF 6545
positive
20 eV
Sonnenburg Lab MS2 Library C18 positive method
Sonnenburg_Lab_qTOF_MS2_Spectra.msp
0.8430884423993213
0.40543983829343383
157.0243826
[M+H]+
4.419746720345496 ppm
-6.940080000106263E-4 Da