Spectrum CCMSLIB00000578124 for URIDINE-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
58-97-9
6030
C9H13N2O9P
324.035866626
O=C1C=CN(C(=O)N1)C2OC(COP(=O)(O)O)C(O)C2O
InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)
DJJCXFVJDGTHFX-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial standard
Q-Exactive Plus
324.036
0
IROA_PLATE_ce_neg_1_E.mzXML
MS2
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
negative
1.7322073898362231
0.49980940222158693
323.028
[M-H]-
1.8284049678726235 ppm
-5.906259999619579E-4 Da