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MassBank Record: PS036301

trans-ribosylzeatin, N6-(trans-4-Hydroxy-3-methyl-2-buten-1-yl)adenosine, trans-Zeatin-riboside, 9-(beta-D-Ribofuranosyl)-trans-zeatin; LC-ESI-QQ; MS2

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

ACCESSION: PS036301
RECORD_TITLE: trans-ribosylzeatin, N6-(trans-4-Hydroxy-3-methyl-2-buten-1-yl)adenosine, trans-Zeatin-riboside, 9-(beta-D-Ribofuranosyl)-trans-zeatin; 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, Z3541.
COMMENT: PRIMe compound in-house ID 363
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$NAME: trans-ribosylzeatin
CH$NAME: N6-(trans-4-Hydroxy-3-methyl-2-buten-1-yl)adenosine
CH$NAME: trans-Zeatin-riboside
CH$NAME: 9-(beta-D-Ribofuranosyl)-trans-zeatin
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleoside CLASS3 Zeatin
CH$FORMULA: C15H21N5O5
CH$EXACT_MASS: 351.363
CH$SMILES: CC(=CCNC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)CO
CH$IUPAC: InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)
CH$LINK: CAS 6025-53-2
CH$LINK: KEGG C16431
CH$LINK: PUBCHEM CID:6440982
CH$LINK: INCHIKEY GOSWTRUMMSCNCW-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 10

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 352.37

PK$SPLASH: splash10-0udi-0009000000-08f1e5b512fc6e799708
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  351.0 177908.0 36
  352.0 4968806.0 999
//

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