ACCESSION: MSBNK-RIKEN_ReSpect-PT100130
RECORD_TITLE: N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine, Isopentenyladenosine, 6-(gamma,gamma-Dimethylallylamino)purine riboside, 2iP Riboside, (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)purin-9-yl]oxolane-3,4-diol, 2iPA, N-6-(delta-2-Isopentenyl)adenosine hemihydrate, Dimethylallyladenosine, Isopentenyl adenine riboside, N-Isopentenyladenosine; LC-ESI-QTOF; MS2
DATE: 2008.07.24
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$NAME: N6-(gamma,gamma-Dimethylallyl)adenosine
CH$NAME: Riboprine
CH$NAME: Isopentenyladenosine
CH$NAME: 6-(gamma,gamma-Dimethylallylamino)purine riboside
CH$NAME: 2iP Riboside
CH$NAME: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)purin-9-yl]oxolane-3,4-diol
CH$NAME: 2iPA
CH$NAME: N-6-(delta-2-Isopentenyl)adenosine hemihydrate
CH$NAME: Dimethylallyladenosine
CH$NAME: Isopentenyl adenine riboside
CH$NAME: N-Isopentenyladenosine
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleoside CLASS3 Adenosine
CH$FORMULA: C₁₅H₂₁N₅O₄
CH$EXACT_MASS: 335.364
CH$SMILES: CC(=CCNC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C
CH$IUPAC: InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)
CH$LINK: CAS 7724-76-7
CH$LINK: INCHIKEY USVMJSALORZVDV-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 POSITIVE
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 336.16715

PK$SPLASH: splash10-000i-0920000000-2e6d9ea9d31513389beb
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  69.0765 9967.0 330
  119.044 10670.0 354
  136.0659 30140.0 999
  136.3563 13760.0 456
  136.4155 13520.0 448
  148.0702 24820.0 823
  204.1277 14700.0 487
  204.4835 6995.0 232
  204.5621 8075.0 268
  336.1671 6513.0 216
//