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MassBank Record: MSBNK-RIKEN_ReSpect-PT101410

2'-Deoxyadenosine-5'-diphosphate sodium salt, [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate, 2'-Deoxy-ADP, dADP; LC-ESI-QTOF; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-RIKEN_ReSpect-PT101410
RECORD_TITLE: 2'-Deoxyadenosine-5'-diphosphate sodium salt, [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate, 2'-Deoxy-ADP, dADP; LC-ESI-QTOF; MS2
DATE: 2008.07.25
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$NAME: 2'-Deoxyadenosine-5'-diphosphate sodium salt
CH$NAME: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
CH$NAME: 2'-Deoxy-ADP
CH$NAME: dADP
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleotide CLASS3 Adenosine phosphate
CH$FORMULA: C10H15N5O9P2
CH$EXACT_MASS: 411.208
CH$SMILES: C1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=O)(O)OP(=O)(O)O)O
CH$IUPAC: InChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)
CH$LINK: INCHIKEY DAEAPNUQQAICNR-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 412.0423

PK$SPLASH: splash10-03di-0000900000-7b8ecc058ff4f2d1a225
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  411.0652 9.222 667
  411.1154 13.81 999
  411.1626 6.129 443
  411.5507 1.408 102
  411.7712 1.289 93
  411.8501 1.452 105
  411.9189 1.73 125
  411.9637 2.16 156
  412.0423 6.419 464
  412.0808 5.39 390
  412.1291 4.576 331
  413.0563 1.729 125
//

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