ACCESSION: PR100323
RECORD_TITLE: trans-Zeatin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
DATE: 2011.05.06 (Created 2009.09.10)
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.
CH$NAME: trans-Zeatin
CH$NAME: ZEE
CH$NAME: 6-(4-Hydroxy-3-methylbut-2-enylamino)purine
CH$NAME: N6-(4-Hydroxy-3-methyl-2-buten-1-yl)adenine
CH$COMPOUND_CLASS: Zeatin
CH$FORMULA: C10H13N5O
CH$EXACT_MASS: 219.11201
CH$SMILES: OCC(C)=CCNc(n2)c(n1)c(nc2)nc1
CH$IUPAC: InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+
CH$LINK: CAS 1637-39-4
CH$LINK: CHEMSPIDER 395716
CH$LINK: KEGG C00371
CH$LINK: KNAPSACK C00000091
CH$LINK: PUBCHEM CID:449093
AC$INSTRUMENT: UPLC Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V
AC$MASS_SPECTROMETRY: DATAFORMAT Continuum
AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C
AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C
AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V
AC$CHROMATOGRAPHY: SOLVENT CH3CN(0.1%HCOOH)/ H2O(0.1%HCOOH)
MS$FOCUSED_ION: PRECURSOR_M/Z 220.1198
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  119.0369 220 160
  136.0629 1374 999
  148.0634 201.2 146
  185.0829 85.88 62
  202.1102 248 180
  220.1198 663.5 482
