Gadobenic acid

7-[2-(benzyloxy)-1-carboxyethyl]-1,1,4,7-tetrakis(carboxymethyl)-hexahydro-1H-1,3-diaza-2-gadolinacyclopenta[1,2-a]1,3-diaza-2-gadolinacyclopentane-1,7,4-triium

Formula: C22H31GdN3O11 (671.12)
Chinese Name:
BioDeep ID: BioDeep_00000169736 ( View LC/MS Profile)
SMILES: OC(=O)C[N+]1(CC(O)=O)CC[N+]2(CC(O)=O)CC[N+](CC(O)=O)(C(COCC3=CC=CC=C3)C(O)=O)[Gd]12



Found 5 Sample Hits

m/z Adducts Species Organ Scanning Sample
672.1344 [M+H]+
PPM:10.7		 Homo sapiens Liver MALDI (DHB)
20171107_FIT4_DHBpos_p70_s50 - Rappez et al (2021) SpaceM reveals metabolic states of single cells
Resolution: 50μm, 70x70

Description

689.1579 [M+NH4]+
PPM:6		 Homo sapiens Liver MALDI (DHB)
20171107_FIT4_DHBpos_p70_s50 - Rappez et al (2021) SpaceM reveals metabolic states of single cells
Resolution: 50μm, 70x70

Description

654.1179 [M+H-H2O]+
PPM:1.9		 Rattus norvegicus Epididymis MALDI (DHB)
epik_dhb_head_ito08_43 - MTBLS58
Resolution: 17μm, 298x106

Description

689.144 [M+NH4]+
PPM:14.2		 Rattus norvegicus Epididymis MALDI (DHB)
epik_dhb_head_ito08_43 - MTBLS58
Resolution: 17μm, 298x106

Description

672.135 [M+H]+
PPM:11.5		 Drosophila melanogaster brain MALDI (DHB)
Drosophila18 - 2019-10-16_14h26m34s
Resolution: 5μm, 686x685

Description

Sample information Organism: Drosophila melanogaster Organism part: Brain Condition: Healthy Sample preparation Sample stabilisation: Frozen Tissue modification: Frozen MALDI matrix: 2,5-dihydroxybenzoic acid (DHB) MALDI matrix application: TM sprayer Solvent: Aceton/water MS analysis Polarity: Positive Ionisation source: Prototype Analyzer: Orbitrap Pixel size: 5μm × 5μm Annotation settings m/z tolerance (ppm): 3 Analysis version: Original MSM Pixel count: 469910 Imzml file size: 696.23 MB Ibd file size: 814.11 MB

Gadobenic acid, also known as gadobenate, belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups. Gadobenic acid is considered to be a practically insoluble (in water) and relatively neutral molecule.