Spectrum CCMSLIB00005464504 for DEOXYADENOSINE MONOPHOSPHATE

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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
653-63-4
InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
C10H14N5O6P
331.068169798
O=P(O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)CC1O
KHWCHTKSEGGWEX-RRKCRQDMSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
331.068
1
MSV000084496/peak/mzXML/GNPS00007_A7_p.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
positive
0.7964007164930179
0.23415304292155464
332.075
[M+H]+
3.4323511254896397 ppm
-0.001139797999996972 Da