Spectrum CCMSLIB00000578031 for "3',5'-CYCLIC AMP"

Rating: (*)★(*)★(*)★(*)★(*)☆

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

Mass Spectral Metadata

NameValue
MS2
LC-ESI
Commercial standard
Q-Exactive Plus
329.053
0
IROA_PLATE_pos_4_C.mzXML
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
positive
0.711019406020222
0.2694217355724817
330.06
[M+H]+
1.4837726473499053 ppm
-4.897339999843098E-4 Da