ACCESSION: MSBNK-RIKEN_ReSpect-PT201890
RECORD_TITLE: 3',5'-Cyclic CMP, cCMP, 4-amino-1-[(1S,6R,8R,9R)-3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]pyrimidin-2-one, Cytidine-3',5'-cyclicmonophosphate; 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$NAME: 3',5'-Cyclic CMP
CH$NAME: cCMP
CH$NAME: 4-amino-1-[(1S,6R,8R,9R)-3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]pyrimidin-2-one
CH$NAME: Cytidine-3',5'-cyclicmonophosphate
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleotide CLASS3 Cytidine phosphate
CH$FORMULA: C₉H₁₂N₃O₇P
CH$EXACT_MASS: 305.185
CH$SMILES: C1C2C(C(C(O2)N3C=CC(=NC3=O)N)O)OP(=O)(O1)O
CH$IUPAC: InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)
CH$LINK: INCHIKEY WCPTXJJVVDAEMW-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 304.03349

PK$SPLASH: splash10-0w4i-9507000000-c2fb09d3d85e121b51c5
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  67.0318 228.2 63
  78.9602 3596.0 997
  96.9704 748.8 208
  110.0364 2529.0 701
  134.9858 185.2 51
  192.9921 255.2 71
  304.0335 3604.0 999
//