MassBank Record: MSBNK-Keio_Univ-KO002306
ACCESSION: MSBNK-Keio_Univ-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 (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 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
//
system version 2.2.8-SNAPSHOT