ACCESSION: MSBNK-RIKEN_ReSpect-PT201900
RECORD_TITLE: Cytidine-5'-diphosphate sodium salt hydrate,from yeast, Cytidine 5'-Diphosphoric Acid , [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate, CDP Sodium Salt; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Cytidine-5'-diphosphate sodium salt hydrate,from yeast
CH$NAME: Cytidine 5'-Diphosphoric Acid
CH$NAME: [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
CH$NAME: CDP Sodium Salt
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleotide CLASS3 Cytidine phosphate
CH$FORMULA: C₉H₁₅N₃O₁₁P₂
CH$EXACT_MASS: 403.181
CH$SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
CH$IUPAC: InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)
CH$LINK: CAS 63-38-7
CH$LINK: INCHIKEY ZWIADYZPOWUWEW-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 402.01038

PK$SPLASH: splash10-0kdi-9602700000-4b46ddc9506634a02dc5
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  78.9594 149.0 999
  110.0355 24.18 162
  158.9241 84.32 565
  304.0305 16.15 108
  383.9996 23.19 155
  402.0104 122.4 821
//