Spectrum MoNA024001 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
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
IVOMOUWHDPKRLL-KQYNXXCUSA-N
C10H12N5O6P
329.052519734
O=P1(O)OCC2OC(N3C=NC=4C(=NC=NC43)N)C(O)C2O1

Mass Spectral Metadata

NameValue
Thermo Scientific Orbitrap ID-X
LC-ESI-Orbitrap
Flow Injection
ESI
MS2
HCD (NCE 40%)
C10H12N5O6P
329.0
329.05252
IROA_DB_for_mona_filtered_exported_addedInfo.msp
negative
0.9387815464500366
0.24807994240975567
328.04522000000003
[M-H]-
0.07234978143298317 ppm
-2.3733999967134878E-5 Da