MassBank Record: KO002306



 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002306
RECORD_TITLE: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., 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$LINK: PUBCHEM SID:7258 CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UUOKFMHZSA-N
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 339 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-4900000000-731f94a980a3ea830720 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 62.800 39604.0 21 69.100 133663.5 69 83.100 49505.0 26 84.500 19802.0 10 86.300 59406.0 31 97.200 782179.0 406 104.100 19802.0 10 107.600 19802.0 10 110.200 1925744.5 999 124.200 24752.5 13 127.100 94059.5 49 128.500 14851.5 8 154.900 24752.5 13 170.100 222772.5 116 178.300 54455.5 28 195.500 24752.5 13 //