Spectrum FiehnHILIC002771 for Inosine

Rating: (*)★(*)★(*)★(*)★(*)☆
  • Originally submitted to the Fiehn Lab HILIC Library

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
UGQMRVRMYYASKQ-KQYNXXCUSA-N
C10H12N4O5
268.08076948400003
OC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3O
InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1

Mass Spectral Metadata

NameValue
M + 0
5.95805
15 eV
negative
802
35 eV
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.704697992289786
0.3207218777536699
267.0761
[M-H]-
9.759450583401275 ppm
0.002606515999957537 Da