MassBank Record: KO002304



 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002304
RECORD_TITLE: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 339 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-056r-1921000000-b59f42e588be20adfd16 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 68.900 49505.0 35 82.900 24752.5 17 97.000 277228.0 195 104.700 59406.0 42 109.900 648515.5 456 126.200 54455.5 38 127.000 1420793.5 999 128.300 153465.5 108 142.400 34653.5 24 148.100 108911.0 77 148.900 14851.5 10 154.600 14851.5 10 165.100 44554.5 31 170.000 391089.5 275 178.500 24752.5 17 186.800 39604.0 28 189.300 24752.5 17 205.000 128713.0 91 206.000 653466.0 459 208.200 74257.5 52 224.000 49505.0 35 230.800 14851.5 10 244.800 29703.0 21 322.100 227723.0 160 339.400 242574.5 171 //