MassBank Record: MSBNK-RIKEN_ReSpect-PT101410
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
//
system version 2.2.8-SNAPSHOT