Spectrum CCMSLIB00005464555 for CYCLIC AMP

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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
60-92-4
InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
C10H12N5O6P
329.05251973400004
O=P1(O)OCC2OC(N3C=NC=4C(=NC=NC43)N)C(O)C2O1
IVOMOUWHDPKRLL-KQYNXXCUSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
329.053
1
MSV000084496/peak/mzXML/GNPS00007_A6_p.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
positive
2.4258583416827344
0.7132365662639739
352.042
[M+Na]+
0.8230097547774338 ppm
-2.897340000913573E-4 Da