Spectrum MoNA002297 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
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
KHWCHTKSEGGWEX-RRKCRQDMSA-N
C10H14N5O6P
331.06816979800004
O=P(O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)CC1O

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent QTOF 6550
10
C10H14N5O6P
331.06817
331.06817
qtof_library_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
1.0864884743327963
0.47185594905421624
332.075222439236
[M+H]+
2.7625028971806143 ppm
-9.173587640702863E-4 Da