Spectrum CCMSLIB00005720708 for 2'-DEOXYGUANOSINE 5'-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/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
C10H14N5O7P
347.063084418
O=P(O)(O)OCC1OC(N2C=NC=3C(O)=NC(=N)NC32)CC1O
LTFMZDNNPPEQNG-KVQBGUIXSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
qTof
347.063
-1
IROATECH_MSMLS_SCIEX_5600_TripleTOF.mgf
MS2
PSU-MSMLS
Andrew D. Patterson, mpanitchpakdi, Philip Smith
negative
1.973733199805833
0.7288392212974852
346.055
[M-H]-
2.3360968632721053 ppm
-8.084180000196284E-4 Da