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MassBank Record: PT101480

[(2R,3S,5R)-3-hydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate, 2'-Deoxyinosine-5'-monophosphate sodium salt, dIMP, 2'-Deoxy-IMP; LC-ESI-QTOF; MS2

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

ACCESSION: PT101480
RECORD_TITLE: [(2R,3S,5R)-3-hydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate, 2'-Deoxyinosine-5'-monophosphate sodium salt, dIMP, 2'-Deoxy-IMP; 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$NAME: [(2R,3S,5R)-3-hydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
CH$NAME: 2'-Deoxyinosine-5'-monophosphate sodium salt
CH$NAME: dIMP
CH$NAME: 2'-Deoxy-IMP
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleotide CLASS3 Inosine phosphate
CH$FORMULA: C10H13N4O7P
CH$EXACT_MASS: 332.211
CH$SMILES: C1C(C(OC1N2C=NC3=C2NC=NC3=O)COP(=O)(O)O)O
CH$IUPAC: InChI=1S/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)
CH$LINK: CAS 3393-18-8
CH$LINK: INCHIKEY PHNGFPPXDJJADG-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 333.05998

PK$SPLASH: splash10-001r-0619000000-1a0eb2cb24a05602189f
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  81.0343 6.175 88
  137.0466 54.18 772
  217.072 9.397 134
  332.8524 4.616 66
  333.06 70.1 999
//

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