Spectrum FiehnHILIC000861 for Xanthosine

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
UBORTCNDUKBEOP-UUOKFMHZSA-N
C10H12N4O6
284.07568410399995
OC=1N=C(O)C=2N=CN(C2N1)C3OC(CO)C(O)C3O
InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1

Mass Spectral Metadata

NameValue
7.3014
M + 0
1327
positive
HCD (NCE 20-30-40%)
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.5353479867057962
0.4831094967757989
285.0829
[M+H]+
2.645209516082337 ppm
-7.541039999523491E-4 Da