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MassBank Record: MSBNK-RIKEN_ReSpect-PT101650

Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate, (1S,6R,8R,9R)-8-(6-aminopurin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol; LC-ESI-QTOF; MS2

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

ACCESSION: MSBNK-RIKEN_ReSpect-PT101650
RECORD_TITLE: Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate, (1S,6R,8R,9R)-8-(6-aminopurin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol; LC-ESI-QTOF; MS2
DATE: 2008.07.25
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$NAME: Cyclic AMP
CH$NAME: Cyclic-3',5'-adenylic acid
CH$NAME: Adenosine 3',5'-cyclophosphate
CH$NAME: cAMP
CH$NAME: Adenosine-3',5'-cyclicmonophosphate
CH$NAME: (1S,6R,8R,9R)-8-(6-aminopurin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleotide CLASS3 Adenosine phosphate
CH$FORMULA: C10H12N5O6P
CH$EXACT_MASS: 329.211
CH$SMILES: C1C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)OP(=O)(O1)O
CH$IUPAC: InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)
CH$LINK: CAS 60-92-4
CH$LINK: INCHIKEY IVOMOUWHDPKRLL-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 POSITIVE
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 330.06032

PK$SPLASH: splash10-001i-0009000000-c527aad341e122fc9bea
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  136.0632 90.97 95
  329.8911 25.19 26
  330.0603 960.5 999
//

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