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MassBank Record: PT206690

Cytidine-3'-monophosphate, [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate, 3'-CMP, CMP, 3'-cytosylic acid, 4-Amino-1-beta-D-ribofuranosyl-2(H)-pyrimidinone 3'-dihydrogen phosphate, 3'-Cytidylic acid; LC-ESI-QTOF; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: PT206690
RECORD_TITLE: Cytidine-3'-monophosphate, [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate, 3'-CMP, CMP, 3'-cytosylic acid, 4-Amino-1-beta-D-ribofuranosyl-2(H)-pyrimidinone 3'-dihydrogen phosphate, 3'-Cytidylic acid; 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$NAME: Cytidine-3'-monophosphate
CH$NAME: [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CH$NAME: 3'-CMP
CH$NAME: CMP
CH$NAME: 3'-cytosylic acid
CH$NAME: 4-Amino-1-beta-D-ribofuranosyl-2(H)-pyrimidinone 3'-dihydrogen phosphate
CH$NAME: 3'-Cytidylic acid
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleotide CLASS3 Cytidine phosphate
CH$FORMULA: C9H14N3O8P
CH$EXACT_MASS: 323.2
CH$SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)OP(=O)(O)O)O
CH$IUPAC: InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)
CH$LINK: CAS 84-52-6
CH$LINK: INCHIKEY UOOOPKANIPLQPU-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 322.04405

PK$SPLASH: splash10-01t9-9053000000-98586caa88a9542b6869
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  78.9601 1503.0 999
  96.9702 426.3 283
  110.0364 203.9 136
  211.0008 1081.0 719
  322.044 723.1 481
//

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