ACCESSION: MSBNK-RIKEN_ReSpect-PS011005
RECORD_TITLE: AMP, Phosphaden, Adenosine-5'-monophosphate sodium salt, A-5'-P, Adenovite, 5'-Adenylic acid; 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, A1752.
COMMENT: PRIMe compound in-house ID 110
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$NAME: AMP
CH$NAME: Phosphaden
CH$NAME: Adenosine-5'-monophosphate sodium salt
CH$NAME: A-5'-P
CH$NAME: Adenovite
CH$NAME: 5'-Adenylic acid
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleotide CLASS3 Adenosine phosphate
CH$FORMULA: C₁₀H₁₄N₅O₇P
CH$EXACT_MASS: 347.226
CH$SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O
CH$IUPAC: InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)
CH$LINK: CAS 61-19-8
CH$LINK: KEGG C00020
CH$LINK: PUBCHEM CID:6083
CH$LINK: INCHIKEY UDMBCSSLTHHNCD-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 348.27

PK$SPLASH: splash10-000i-2900000000-59a821b04df7cfcd35d0
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  96.0 12882.0 45
  97.0 92461.0 321
  134.0 9571.0 33
  135.0 76901.0 267
  136.0 287955.0 999
//