Dataset

Cereb, Reagin, Niticolin, Cytidine-5'-diphosphocholine sodium salt dihydrate, from yeast, solid , Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 2-trimethylazaniumylethyl phosphate, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT101913 contains the MS2 mass spectrum of Cereb, Reagin, Niticolin, Cytidine-5'-diphosphocholine sodium salt dihydrate, from yeast, solid , Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 2-trimethylazaniumylethyl phosphate, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin with the InChIkey RZZPDXZPRHQOCG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)
SMILES C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O
InChI Key RZZPDXZPRHQOCG-UHFFFAOYSA-N
Molecular Formula C14H26N4O11P2
Exact Mass 488.331 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PT101913
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:07:08.363717
MetadataModified 2024-01-11T21:07:08.542631
MetadataPublished 2008-07-25
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3901273 PubChem
29549663 eMolecules
13013858 PubChem
SCHEMBL50799 SureChEMBL
PD074330 ProbesDrugs
70111943 NMRShiftDB
HMDB0260340 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.