MassBank Record: KO000206



 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: KO000206
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 (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-Aminoimidazole-4-carboxamide ribotide CH$NAME: 5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide CH$NAME: 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide CH$NAME: 5'-Phospho-ribosyl-5-amino-4-imidazole carboxamide CH$NAME: 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide CH$NAME: 5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole CH$NAME: AICAR 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$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 337 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-1019000000-4ca07d05181423b32ed1 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 58.900 94059.5 17 79.100 198020.0 36 97.300 613862.0 112 130.100 74257.5 14 130.900 69307.0 13 150.700 99010.0 18 168.000 148515.0 27 184.300 69307.0 13 211.000 366337.0 67 211.700 89109.0 16 217.200 44554.5 8 231.100 14851.5 3 255.000 252475.5 46 277.200 94059.5 17 291.000 24752.5 5 294.200 84158.5 15 320.900 14851.5 3 337.300 5485154.0 999 //