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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)

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 (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$LINK: PUBCHEM SID:7258
CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UUOKFMHZSA-N
CH$LINK: COMPTOX DTXSID10904363

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
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  97.000 277228.0 195
  104.700 59406.0 42
  109.900 648515.5 456
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  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
//

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