ACCESSION: MSBNK-RIKEN_ReSpect-PT203630
RECORD_TITLE: N6-(trans-4-Hydroxy-3-methyl-2-buten-1-yl)adenosine, 9-(beta-D-Ribofuranosyl)-trans-zeatin, trans-ribosylzeatin, trans-Zeatin-riboside, (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolane-3,4-diol; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: N6-(trans-4-Hydroxy-3-methyl-2-buten-1-yl)adenosine
CH$NAME: 9-(beta-D-Ribofuranosyl)-trans-zeatin
CH$NAME: trans-ribosylzeatin
CH$NAME: trans-Zeatin-riboside
CH$NAME: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolane-3,4-diol
CH$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: INCHIKEY GOSWTRUMMSCNCW-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 350.14646

PK$SPLASH: splash10-00lr-0951000000-d634173a316646650aca
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  107.036 37.72 80
  133.0396 45.3 96
  134.0469 470.4 999
  200.0946 30.01 64
  218.1049 199.7 424
  266.0894 138.5 294
  350.1465 93.51 199
//