Spectrum FiehnHILIC002870 for N2,N2-Dimethylguanosine

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
RSPURTUNRHNVGF-IOSLPCCCSA-N
C12H17N5O5
311.122968644
OC1=NC(=NC2=C1N=CN2C3OC(CO)C(O)C3O)N(C)C
InChI=1S/C12H17N5O5/c1-16(2)12-14-9-6(10(21)15-12)13-4-17(9)11-8(20)7(19)5(3-18)22-11/h4-5,7-8,11,18-20H,3H2,1-2H3,(H,14,15,21)/t5-,7-,8-,11-/m1/s1

Mass Spectral Metadata

NameValue
M + 0
15 eV
5.268283
negative
798
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)
0.22851615128229644
0.14198506790280002
310.1167
[M-H]-
3.2483126511584284 ppm
0.0010073559999455028 Da