Spectrum CCMSLIB00005464488 for DEOXYURIDINE TRIPHOSPHATE

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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
102814-08-4
InChI=1S/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
C9H15N2O14P3
467.97361305
O=C1N=C(O)C=CN1C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2
AHCYMLUZIRLXAA-SHYZEUOFSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
467.974
-1
MSV000084496/peak/mzXML/GNPS00007_E1_n.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
negative
2.4774342995701546
0.7901256162375059
466.966
[M-H]-
0.7217870251466463 ppm
-3.370499999846288E-4 Da