Spectrum DNAAdduct002998 for O6-Methyl-deoxyguanosine

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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
C11H15N5O4
281.11240396
OCC1OC(N2C=NC=3C(=NC(=NC32)N)OC)CC1O
InChI=1S/C11H15N5O4/c1-19-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3,(H2,12,14,15)
BCKDNMPYCIOBTA-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
ESI-ITFT
LTQ Orbitrap Fusion Tribrid, Thermo Scientfic
hcd
10
C11H15N5O4
2
20231130_DNA-Adduct_CombinedDB.msp
0.6919237757829904
0.9982349999952873
positive
282.119684055
[M+H]+
2.4454337608964787 ppm
-6.89905000001545E-4 Da