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MassBank Record: MSBNK-RIKEN_ReSpect-PS036306

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: MSBNK-RIKEN_ReSpect-PS036306
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 60

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

PK$SPLASH: splash10-000i-3900000000-2904160252a546e80114
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  42.0 9929.0 63
  43.0 58497.0 371
  55.0 5933.0 38
  57.0 7875.0 50
  67.0 6631.0 42
  119.0 13055.0 83
  134.0 10029.0 64
  135.0 38351.0 243
  136.0 157569.0 999
  147.0 8221.0 52
  148.0 24458.0 155
  220.0 4976.0 32
//

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