Dataset

AICAR monophosphate, ZMP, Z-nucleotide, 5'-Phospho-ribosyl-5-amino-4-imidazole carboxamide, 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide, 5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide, AICAR, AICAriboside 5'-monophosphate, 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate, N1-(beta-D-5'-Phosphoribofuranosyl)-5-aminoimidazole-4-carboxamide, 5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS066204 contains the MS2 mass spectrum of AICAR monophosphate, ZMP, Z-nucleotide, 5'-Phospho-ribosyl-5-amino-4-imidazole carboxamide, 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide, 5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide, AICAR, AICAriboside 5'-monophosphate, 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate, N1-(beta-D-5'-Phosphoribofuranosyl)-5-aminoimidazole-4-carboxamide, 5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole with the InChIkey NOTGFIUVDGNKRI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI 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)
SMILES C1=NC(=C(N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)N
InChI Key NOTGFIUVDGNKRI-UHFFFAOYSA-N
Molecular Formula C9H15N4O8P
Exact Mass 338.215 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS066204
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:07:39.593878
MetadataModified 2024-01-11T21:07:39.763899
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL1230589 SureChEMBL
HMDB0248071 Human Metabolome Database
LSM-4460 LINCS
AICAR Atlas
PD030177 ProbesDrugs
3031-94-5 ACToR
93885 ChEBI
SCHEMBL20276955 SureChEMBL
SCHEMBL20134003 SureChEMBL
533827 eMolecules
200 PubChem
The data in this table is sourced from UniChem at EBI.