Spectrum MoNA024079 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
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
AHCYMLUZIRLXAA-SHYZEUOFSA-N
C9H15N2O14P3
467.97361305
O=C1N=C(O)C=CN1C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2

Mass Spectral Metadata

NameValue
Thermo Scientific Orbitrap ID-X
LC-ESI-Orbitrap
Flow Injection
ESI
MS2
HCD (NCE 40%)
C9H15N2O14P3
468.0
467.97360999999995
IROA_DB_for_mona_filtered_exported_addedInfo.msp
positive
1.5815351754439069
0.3514671266813446
468.98090999999994
[M+H]+
1.4351330420801247 ppm
-6.730500000458051E-4 Da