MassBank Record: PR100736



 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR100736
RECORD_TITLE: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
DATE: 2016.01.19 (2010.06.21, 2011.05.06)
AUTHORS: Matsuda FPlant Science Center, RIKEN., Suzuki MPlant Science Center, RIKEN., Sawada YPlant Science Center, RIKEN., Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate CH$NAME: ZMP CH$NAME: AICAR CH$NAME: AICAR monophosphate CH$NAME: Z-nucleotide CH$NAME: AICAriboside 5'-monophosphate CH$NAME: N1-(beta-D-5'-Phosphoribofuranosyl)-5-aminoimidazole-4-carboxamide CH$NAME: 5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole CH$NAME: 5'-Phospho-ribosyl-5-amino-4-imidazole carboxamide CH$NAME: 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide CH$NAME: 5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide CH$COMPOUND_CLASS: Natural Product; Carbohydrate; Phosphates CH$FORMULA: C9H15N4O8P CH$EXACT_MASS: 338.06275 CH$SMILES: NC(=O)c(n2)c(N)n(c2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1 CH$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)/t3-,5-,6-,9-/m1/s1 CH$LINK: CAS 3031-94-5 CH$LINK: CHEMSPIDER 58620 CH$LINK: KAPPAVIEW KPC00289 CH$LINK: KEGG C04677 CH$LINK: KNAPSACK C00007383 CH$LINK: PUBCHEM CID:65110 CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UUOKFMHZSA-N
AC$INSTRUMENT: UPLC 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: COLLISION_ENERGY Ramp 5-60 V AC$MASS_SPECTROMETRY: DATAFORMAT Continuum AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V AC$CHROMATOGRAPHY: SOLVENT CH3CN(0.1%HCOOH)/ H2O(0.1%HCOOH)
MS$FOCUSED_ION: PRECURSOR_M/Z 337.05495 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004r-9104000000-230fd9fc88d41766b56e PK$NUM_PEAK: 4 PK$PEAK: m/z int. rel.int. 78.9601 1836 999 96.9702 828.2 451 125.0471 378.8 206 337.0550 1234 671 //