Spectrum EMBL-MCF_spec273424 for 2,9;-DEOXYGUANOSINE

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
285.10731858
187790
InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1
YKBGVTZYEHREMT-KVQBGUIXSA-N
C10H13N5O4
267.096753896
N=C1N=C(O)C=2N=CN(C2N1)C3OC(CO)C(O)C3

Mass Spectral Metadata

NameValue
MS2
IROA_retest_neg_Mix_31.mzML
467: 2'-DEOXYGUANOSINE
1.7358698
spec273424
878
35.0 eV
Luna Amino (150x 2 mm; 3uM)
HILIC_BA2
7.5 mM Ammonium acetate+0.1% NH4OH (A), ACN (B)
35.0
Thermo Q-Exactive Plus
LC-ESI-QFT
Prasad Phapale
negative
1.1383597043897686
0.32281432838285223
266.089569140407
[M-H]-