MassBank Record: KO002303



 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002303
RECORD_TITLE: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A133

CH$NAME: 5-Aminoimidazole-4-carboxamide-1-ribofuranosyl 5'-monophosphate CH$NAME: 5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide CH$NAME: 5'-Phospho-ribosyl-5-amino-4-imidazole carboxamide CH$NAME: 5-Aminoimidazole-4-carboxamide ribotide CH$NAME: 5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole CH$NAME: AICAR CH$NAME: 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide CH$NAME: 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide CH$NAME: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate CH$COMPOUND_CLASS: N/A 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: CHEBI 18406 CH$LINK: KEGG C04677 CH$LINK: NIKKAJI J7.665A CH$LINK: PUBCHEM SID:7258
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 339 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0119000000-9504e432c77e845f195d PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 69.000 49505.0 8 126.700 257426.0 44 141.800 113861.5 19 170.200 336634.0 57 189.100 74257.5 13 195.100 59406.0 10 206.400 54455.5 9 208.000 178218.0 30 219.300 74257.5 13 222.800 14851.5 3 224.100 39604.0 7 235.000 133663.5 23 241.000 34653.5 6 263.300 153465.5 26 275.400 19802.0 3 279.400 123762.5 21 303.900 29703.0 5 307.300 29703.0 5 322.400 163366.5 28 339.300 5905946.5 999 340.200 29703.0 5 //