Spectrum CCMSLIB00005464344 for DEOXYADENOSINE

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
16373-93-6
InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1
C10H13N5O3
251.10183927600002
OCC1OC(N2C=NC=3C(=NC=NC32)N)CC1O
OLXZPDWKRNYJJZ-RRKCRQDMSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
251.102
1
MSV000084495/peak/mzXML/GNPS00006_F7_p.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
positive
0.7893165671963153
0.22574427577249848
252.109
[M+H]+
3.2100242355983317 ppm
-8.092760000124599E-4 Da