Spectrum CCMSLIB00005464315 for ADENOSINE

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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
58-61-7
InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
C10H13N5O4
267.096753896
OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O
OIRDTQYFTABQOQ-KQYNXXCUSA-N

Mass Spectral Metadata

NameValue
MS2
ESI
Commercial
Orbitrap
267.097
1
MSV000084495/peak/mzXML/GNPS00006_G6_p.mzXML
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
positive
0.4797174547616789
0.14396398939405308
290.086
[M+Na]+
1.806002357936069 ppm
-5.238960000042425E-4 Da