Spectrum FiehnHILIC002447 for 2'-Deoxyguanosine 3'-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
QQMSZHORHNORLP-KVQBGUIXSA-N
C10H14N5O7P
347.063084418
O=P(O)(O)OC1CC(OC1CO)N2C=NC=3C(O)=NC(=N)NC32
InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(5(2-16)21-6)22-23(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
1391
15 eV
negative
8.936234
35 eV
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.9975532688520673
0.5126409712886036
346.0544
[M-H]-
4.069932357570215 ppm
-0.0014084180000395463 Da