Spectrum KO009135 for Orotidine 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/C10H13N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h1,4,6-8,14-15H,2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1
KYOBSHFOBAOFBF-XVFCMESISA-N
C10H13N2O11P
368.025695866
O=C(O)C1=CC(O)=NC(=O)N1C2OC(COP(=O)(O)O)C(O)C2O

Mass Spectral Metadata

NameValue
KO009135
2011.12.05 (Created 2008.05.12)
Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
368.0257
LC/MSD Trap XCT, Agilent Technologies
LC-ESI-IT
MS3
0.70/0.40
LC/MSD Trap Control and Data Analysis
positive
369/213
[M+H]+
0.5738598442135968
0.32027727720665167
213.0
[M+H]+
732552.4219061031 ppm
-156.03366586599998 Da