ACCESSION: MSBNK-RIKEN_ReSpect-PT102580
RECORD_TITLE: 5'-inosinate, I-5'-P, Inosinic Acid, IMP, 5'-IMP, [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate, Inosine-5'-monophosphate; 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$NAME: 5'-inosinate
CH$NAME: I-5'-P
CH$NAME: Inosinic Acid
CH$NAME: IMP
CH$NAME: 5'-IMP
CH$NAME: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
CH$NAME: Inosine-5'-monophosphate
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleotide CLASS3 Inosine phosphate
CH$FORMULA: C₁₀H₁₃N₄O₈P
CH$EXACT_MASS: 348.21
CH$SMILES: C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O
CH$IUPAC: InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)
CH$LINK: CAS 131-99-7
CH$LINK: INCHIKEY GRSZFWQUAKGDAV-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 349.0549

PK$SPLASH: splash10-000i-1900000000-d9a723b143b346290896
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  94.042 28.68 24
  97.029 136.7 115
  110.0353 51.37 43
  119.0362 39.92 33
  137.0468 1191.0 999
  349.0549 13.25 11
//