Spectrum FiehnHILIC002660 for Deoxyguanosine 5'-monophosphate

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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
LTFMZDNNPPEQNG-KVQBGUIXSA-N
C10H14N5O7P
347.063084418
O=P(O)(O)OCC1OC(N2C=NC=3C(O)=NC(=N)NC32)CC1O
InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1

Mass Spectral Metadata

NameValue
M + 0
15 eV
8.953033
negative
35 eV
1427
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.1411236860397964
0.8231467414452744
346.0529
[M-H]-
8.404547397244976 ppm
-0.002908418000004076 Da