ACCESSION: MSBNK-RIKEN_ReSpect-PS075103
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 30

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 382.41

PK$SPLASH: splash10-00di-0191000000-55a175960f967476ec40
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  136.0 79731.0 97
  148.0 53808.0 65
  202.0 109756.0 133
  219.0 31408.0 38
  220.0 822118.0 999
  381.0 54758.0 67
  382.0 111879.0 136
//