Spectrum CCMSLIB00005464232 for "2,4-DIHYDROXYPTERIDINE"

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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
487-21-8
InChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)
C6H4N4O2
164.033425368
OC=1N=C(O)C2=NC=CN=C2N1
UYEUUXMDVNYCAM-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
164.033
1
MSV000084479/peak/mzXML/GNPS00005_B11_p.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
positive
1.4567065450882768
0.3783508311321038
165.041
[M+H]+
2.3955744330166895 ppm
-3.9536799999950745E-4 Da