Spectrum MoNA016630 for 2',3'-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
KMYWVDDIPVNLME-KQYNXXCUSA-N
C10H12N5O6P
329.05251973400004
O=P1(O)OC2C(OC(CO)C2O1)N3C=NC=4C(=NC=NC43)N
InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1

Mass Spectral Metadata

NameValue
C10H12N5O6P
-1
1.0092
-1
LC-ESI-QTOF
XEVO-G2S
6V (MS1); Ramp 15V-30V (MSE)
MSMS-USMARCStd-Pos-V1.msp
positive
1.2996948370535606
0.5230356790925904
330.0559
[M+H]+
13.905929268451649 ppm
-0.0045897340000351505 Da