ACCESSION: MSBNK-RIKEN_ReSpect-PS016509
RECORD_TITLE: Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate; LC-ESI-QQ; MS2
DATE: 2009.02.09
AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2008 Plant Science Center, RIKEN
PUBLICATION: Sawada, Y.; Akiyama, K.; Sakata, A.; Kuwahara, A.; Otsuki, H.; Sakurai, T.; Saito, K.; Hirai, M. Y. Widely Targeted Metabolomics Based on Large-Scale MS/MS Data for Elucidating Metabolite Accumulation Patterns in Plants. Plant and Cell Physiology 2008, 50 (1), 37–47. DOI:10.1093/pcp/pcn183
COMMENT: Build 5
COMMENT: Data acquisition and generation is financially supported in part by CREST/JST.
COMMENT: Source compound SIGMA, A9501.
COMMENT: PRIMe compound in-house ID 165
COMMENT: This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENT: The spectral data and services are available to the research and academic community only.
COMMENT: All users must cite follwing literature in publication(s).

CH$NAME: Cyclic AMP
CH$NAME: Cyclic-3',5'-adenylic acid
CH$NAME: Adenosine 3',5'-cyclophosphate
CH$NAME: cAMP
CH$NAME: Adenosine-3',5'-cyclicmonophosphate
CH$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: KEGG C00575
CH$LINK: PUBCHEM CID:6076
CH$LINK: INCHIKEY IVOMOUWHDPKRLL-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 328.25

PK$SPLASH: splash10-003r-0906000000-1733e4adcf7eb6d79270
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  79.0 3730.0 37
  133.0 15587.0 155
  134.0 100374.0 999
  326.0 6668.0 66
  327.0 28382.0 282
  328.0 42520.0 423
//