Spectrum MoNA024090 for 5'-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
C10H13N5O3
InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
XGYIMTFOTBMPFP-KQYNXXCUSA-N
251.101839276
OC1C(O)C(OC1N2C=NC=3C(=NC=NC32)N)C

Mass Spectral Metadata

NameValue
Thermo Scientific Orbitrap ID-X
LC-ESI-Orbitrap
Flow Injection
ESI
MS2
HCD (NCE 40%)
C10H13N5O3
251.0
251.10183999999998
IROA_DB_for_mona_filtered_exported_addedInfo.msp
positive
0.24967282392984613
0.06382192118589575
252.10913999999997
[M+H]+
2.6547074018215504 ppm
-6.692760000248654E-4 Da