MassBank of North America

Spectrum PR010029 for Uridine

Rating: ★★★☆☆

Originally submitted to the MassBank High Quality Mass Spectral Database as MassBank

SPLASH:
splash10-00di-9520000000-591c0bcf8f956d710367
Submitter:
RIKEN Plant Science Center Team

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.

Kingdom
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Organic compounds
- Superclass
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  Nucleosides, nucleotides, and analogues
  - Class
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    Pyrimidine nucleosides

Compound Metadata

Name	Value
compound class Create New Query Add to Query	Natural Product
InChI Create New Query Add to Query	InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
InChIKey Create New Query Add to Query	DRTQHJPVMGBUCF-XVFCMESISA-N
molecular formula Create New Query Add to Query	C9H12N2O6
total exact mass Create New Query Add to Query	244.06953610399998
SMILES Create New Query Add to Query	O=C1N=C(O)C=CN1C2OC(CO)C(O)C2O

External Identifier	Value
cas Create New Query Add to Query	58-96-8
chebi Create New Query Add to Query	16704
kegg Create New Query Add to Query	C00299
pubchem Create New Query Add to Query	3593

Mass Spectral Metadata

Name	Value
accession Create New Query Add to Query	PR010029
date Create New Query Add to Query	2016.01.19 (Created 2006.12.21, modified 2011.05.06)
author Create New Query Add to Query	Kusano M, Fukushima A, Plant Science Center, RIKEN.
license Create New Query Add to Query	CC BY-SA
exact mass Create New Query Add to Query	244.06954
instrument Create New Query Add to Query	Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
instrument type Create New Query Add to Query	GC-EI-TOF
ms level Create New Query Add to Query	MS1
retention index Create New Query Add to Query	2448.9
retention time Create New Query Add to Query	562.786 sec
derivatization formula Create New Query Add to Query	C18H36N2O6Si3
derivatization mass Create New Query Add to Query	460.18812
derivatization type Create New Query Add to Query	3 TMS
whole Create New Query Add to Query	ChromaTOF ver. 2.32 (Leco)
ionization mode Create New Query Add to Query	positive
spectral entropy Create New Query Add to Query	3.4370145977716584
normalized entropy Create New Query Add to Query	0.643932567121655