MassBank Record: MSBNK-RIKEN_ReSpect-PT206620
ACCESSION: MSBNK-RIKEN_ReSpect-PT206620
RECORD_TITLE: AICAR monophosphate, ZMP, Z-nucleotide, 5'-Phospho-ribosyl-5-amino-4-imidazole carboxamide, 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide, 5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide, AICAR, AICAriboside 5'-monophosphate, [(2R,3S,4R,5R)-5-(5-amino-4-carbamoylimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate, 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate, N1-(beta-D-5'-Phosphoribofuranosyl)-5-aminoimidazole-4-carboxamide, 5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole; LC-ESI-QTOF; MS2
DATE: 2008.07.28
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$NAME: AICAR monophosphate
CH$NAME: ZMP
CH$NAME: Z-nucleotide
CH$NAME: 5'-Phospho-ribosyl-5-amino-4-imidazole carboxamide
CH$NAME: 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide
CH$NAME: 5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide
CH$NAME: AICAR
CH$NAME: AICAriboside 5'-monophosphate
CH$NAME: [(2R,3S,4R,5R)-5-(5-amino-4-carbamoylimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CH$NAME: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate
CH$NAME: N1-(beta-D-5'-Phosphoribofuranosyl)-5-aminoimidazole-4-carboxamide
CH$NAME: 5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleotide CLASS3 Ribonucleotide
CH$FORMULA: C9H15N4O8P
CH$EXACT_MASS: 338.215
CH$SMILES: C1=NC(=C(N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)N
CH$IUPAC: InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)
CH$LINK: CAS
3031-94-5
CH$LINK: INCHIKEY
NOTGFIUVDGNKRI-UHFFFAOYSA-N
AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$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$FOCUSED_ION: PRECURSOR_M/Z 337.05495
PK$SPLASH: splash10-004r-9104000000-230fd9fc88d41766b56e
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
78.9601 1836.0 999
96.9702 828.2 451
125.0471 378.8 206
337.055 1234.0 671
//
