MassBank of North America

Spectrum PT101880 for Cytidine,cell culture tested

Rating: ★★★★☆

Originally submitted to the RIKEN MS^n Spectral Database for Phytochemicals as ReSpect

SPLASH:
splash10-01ox-0590000000-d5d20f84ab30e96c30f6
Submitter:
ReSpect Consortium

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
exact mass Create New Query Add to Query	243.22
molecular formula Create New Query Add to Query	C9H13N3O5
total exact mass Create New Query Add to Query	243.085520516
SMILES Create New Query Add to Query	O=C1N=C(N)C=CN1C2OC(CO)C(O)C2O
InChI Create New Query Add to Query	InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
InChIKey Create New Query Add to Query	UHDGCWIWMRVCDJ-XVFCMESISA-N

External Identifier	Value
cas number Create New Query Add to Query	65-46-3

Mass Spectral Metadata

Name	Value
accession Create New Query Add to Query	PT101880
author Create New Query Add to Query	Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
copyright Create New Query Add to Query	Copyright(C) 2009 Plant Science Center, RIKEN
instrument Create New Query Add to Query	Q-Tof Premier, Waters
instrument type Create New Query Add to Query	LC-Q-TOF/MS
ionization Create New Query Add to Query	ESI
source temperature Create New Query Add to Query	120 C
precursor selection Create New Query Add to Query	Q
data format Create New Query Add to Query	Continuum
fragmentation equipment Create New Query Add to Query	Q
fragmentation method Create New Query Add to Query	LOW-ENERGY CID
collision energy Create New Query Add to Query	Ramp 5-45 V
spectrum analyzer type Create New Query Add to Query	TOF
solvent Create New Query Add to Query	CH3CN/H2O
capillary voltage Create New Query Add to Query	3.0 kV
sampling cone Create New Query Add to Query	23.0 V
ion type Create New Query Add to Query	[M+H]+
ms level Create New Query Add to Query	MS2
ionization mode Create New Query Add to Query	positive
spectral entropy Create New Query Add to Query	0.7557772663263551
normalized entropy Create New Query Add to Query	0.6879381144030468
precursor m/z Create New Query Add to Query	244.09332
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	0.6985688915910455 ppm
mass error Create New Query Add to Query	-1.7051599999717837E-4 Da