ACCESSION: MSBNK-RIKEN_ReSpect-PS075106
RECORD_TITLE: 9-(beta-D-Glucopyranosyl)-trans-zeatin, Zeatin-9-glucoside, trans-Zeatinglucoside; 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, Z0537.
COMMENT: PRIMe compound in-house ID S0149
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$NAME: 9-(beta-D-Glucopyranosyl)-trans-zeatin
CH$NAME: Zeatin-9-glucoside
CH$NAME: trans-Zeatinglucoside
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleoside CLASS3 Zeatin
CH$FORMULA: C₁₆H₂₃N₅O₆
CH$EXACT_MASS: 381.389
CH$SMILES: CC(=CCNC1=NC=NC2=C1N=CN2C3C(C(C(C(O3)CO)O)O)O)CO
CH$IUPAC: InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)
CH$LINK: CAS 51255-96-0
CH$LINK: PUBCHEM CID:9842892
CH$LINK: INCHIKEY VYRAJOITMBSQSE-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 382.41

PK$SPLASH: splash10-000i-2900000000-229ce37da8238b08e8a7
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  42.0 9766.0 48
  43.0 71723.0 354
  57.0 9416.0 46
  67.0 12720.0 63
  85.0 7959.0 39
  119.0 8912.0 44
  134.0 8428.0 42
  135.0 65251.0 322
  136.0 202391.0 999
  147.0 11245.0 56
  148.0 43598.0 215
  185.0 6617.0 33
  202.0 13119.0 65
  219.0 8188.0 40
  220.0 13490.0 67
//