Spectrum FiehnHILIC001385 for N2,N2-Dimethylguanosine

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  • 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
MS2
M + 0
5.50915
negative
HCD (NCE 20-30-40%)
974
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.9266287474134072
0.3612659036396989
310.1159
[M-H]-
0.6686403372925703 ppm
2.0735599997578902E-4 Da