ACCESSION: MSBNK-RIKEN_ReSpect-PT200370
RECORD_TITLE: N6-Dimethylallyladenine, 2iP, N6-(2-Isopentenyl)adenine, N-(3-methylbut-2-enyl)-7H-purin-6-amine, 6-(gamma,gamma-Dimethylallylamino)purine, Triacanthine; 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$NAME: N6-Dimethylallyladenine
CH$NAME: 2iP
CH$NAME: N6-(2-Isopentenyl)adenine
CH$NAME: N-(3-methylbut-2-enyl)-7H-purin-6-amine
CH$NAME: 6-(gamma,gamma-Dimethylallylamino)purine
CH$NAME: Triacanthine
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Adenine
CH$FORMULA: C₁₀H₁₃N₅
CH$EXACT_MASS: 203.249
CH$SMILES: CC(=CCNC1=NC=NC2=C1NC=N2)C
CH$IUPAC: InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)
CH$LINK: CAS 2365-40-4
CH$LINK: INCHIKEY HYVABZIGRDEKCD-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 202.10929

PK$SPLASH: splash10-0f89-0930000000-c42cf9d026a5cc424879
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  106.0283 54.22 67
  107.0365 84.36 104
  117.02 61.44 76
  132.0315 200.5 248
  133.0388 615.9 762
  134.0466 807.2 999
  164.8366 616.0 762
  166.8334 206.8 256
  201.8021 324.1 401
  202.1093 670.0 829
//