MassBank Record: PR100121



 Cytidine 5'-diphosphocholine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR100121
RECORD_TITLE: Cytidine 5'-diphosphocholine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
DATE: 2016.01.19 (2009.09.10, 2011.05.06)
AUTHORS: Matsuda FPlant Science Center, RIKEN., Suzuki MPlant Science Center, RIKEN., Sawada YPlant Science Center, RIKEN., Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Cytidine 5'-diphosphocholine CH$NAME: CDPC CH$NAME: CDP-choline CH$NAME: Citicoline CH$NAME: Citicholine CH$NAME: Citidoline CH$NAME: Colite CH$NAME: Cytidindiphosphocholin CH$NAME: Choline cytidine diphosphate CH$NAME: Audes CH$NAME: Citifar CH$NAME: Cyscholin CH$NAME: Haocolin CH$NAME: Hornbest CH$NAME: Neucolis CH$NAME: Reagin CH$NAME: Rexort CH$NAME: Sintoclar CH$NAME: Somazine CH$NAME: Cereb CH$NAME: Cytidoline CH$NAME: Ensign CH$NAME: Nicholin CH$NAME: Nicolin CH$NAME: Niticolin CH$NAME: Recofnan CH$NAME: Recognan CH$NAME: Suncholin CH$COMPOUND_CLASS: Nucleotide-(amino alcohol) CH$FORMULA: C14H26N4O11P2 CH$EXACT_MASS: 488.10733 CH$SMILES: NC(C=2)=NC(=O)N(C2)C(O1)C(O)C(O)C(COP(O)(=O)OP([O-1])(=O)OCC[N+1](C)(C)C)1 CH$IUPAC: InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/t9-,11-,12-,13-/m1/s1 CH$LINK: CAS 987-78-0 CH$LINK: CHEMSPIDER 13207 CH$LINK: KAPPAVIEW KPC00373 CH$LINK: KEGG C00307 CH$LINK: KNAPSACK C00007231 CH$LINK: PUBCHEM CID:13804 CH$LINK: INCHIKEY RZZPDXZPRHQOCG-OJAKKHQRSA-N
AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V AC$MASS_SPECTROMETRY: DATAFORMAT Continuum AC$MASS_SPECTROMETRY: DATE 2008.07.25 AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 420 C AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: SCANNING 1.0 sec/scan (m/z = 50-1000) AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V AC$CHROMATOGRAPHY: SOLVENT CH3CN(0.1%HCOOH) / H2O(0.1%HCOOH)
MS$FOCUSED_ION: PRECURSOR_M/Z 489.11513 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0000900000-8b411373962b073b4d22 PK$NUM_PEAK: 2 PK$PEAK: m/z int. rel.int. 264.0453 19.63 47 489.1151 416.7 999 //