Spectrum EMBL-MCF_spec235342 for URIDINE 5'-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
483.96852878
6133
InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
PGAVKCOVUIYSFO-XVFCMESISA-N
C9H15N2O15P3
483.96852767
O=C1N=C(O)C=CN1C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O

Mass Spectral Metadata

NameValue
35.0
IROA_retest_pos_Mix40.mzML
518: URIDINE 5'-TRIPHOSPHATE
2.603505
spec235342
1438
35.0 eV
Luna Amino (150x 2 mm; 3uM)
HILIC_BA2
7.5 mM Ammonium acetate+0.1% NH4OH (A), ACN (B)
LC-ESI-QFT
Thermo Q-Exactive Plus
MS2
Prasad Phapale
positive
1.0631627462336486
0.2922714953131497
484.974766199689
3.570227631834726 ppm
-0.0017314703110287155 Da