Spectrum CCMSLIB00005720472 for "3',5'-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
6076
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
qTof
329.053
1
IROATECH_MSMLS_SCIEX_5600_TripleTOF.mgf
MS2
PSU-MSMLS
Andrew D. Patterson, mpanitchpakdi, Philip Smith
positive
2.122497925154821
0.48299521747749774
330.06
[M+H]+
1.483772647522127 ppm
-4.897340000411532E-4 Da