Spectrum CCMSLIB00005720743 for "2,4-DIHYDROXYPYRIMIDINE-5-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
23945-44-0
InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
C5H4N2O4
156.017106608
O=C(O)C1=CN=C(O)N=C1O
ZXYAAVBXHKCJJB-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
MS2
ESI
Commercial
qTof
156.017
-1
IROATECH_MSMLS_SCIEX_5600_TripleTOF.mgf
PSU-MSMLS
Andrew D. Patterson, mpanitchpakdi, Philip Smith
negative
1.2502160196042988
0.7768028887262154
155.009
[M-H]-
5.358450154697743 ppm
-8.306080000295424E-4 Da