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MassBank Record: PS116407

AMP 3'-phosphate, 3'-Adenylic acid, Synadenylic acid, 3'-Adenosine monophosphate, 3'-AMP, Adenosine 3'-monophosphate From Yeast; LC-ESI-QQ; MS2

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

ACCESSION: PS116407
RECORD_TITLE: AMP 3'-phosphate, 3'-Adenylic acid, Synadenylic acid, 3'-Adenosine monophosphate, 3'-AMP, Adenosine 3'-monophosphate From Yeast; 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, A9272.
COMMENT: PRIMe compound in-house ID N0129
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$NAME: AMP 3'-phosphate
CH$NAME: 3'-Adenylic acid
CH$NAME: Synadenylic acid
CH$NAME: 3'-Adenosine monophosphate
CH$NAME: 3'-AMP
CH$NAME: Adenosine 3'-monophosphate From Yeast
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)CO)OP(=O)(O)O)O
CH$IUPAC: InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)
CH$LINK: CAS 84-21-9
CH$LINK: KEGG C01367
CH$LINK: PUBCHEM CID:41211
CH$LINK: INCHIKEY LNQVTSROQXJCDD-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 10

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 346.3

PK$SPLASH: splash10-0002-0009000000-1a127b6ce6551ed8d336
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  345.0 29184.0 89
  346.0 329101.0 999
  347.0 22322.0 68
//

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