I-Abopx

2-(4-{3-[(4-amino-3-iodophenyl)methyl]-2,6-dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl}phenoxy)acetic acid

Formula: C23H22IN5O5 (575.0666)
Chinese Name:
BioDeep ID: BioDeep_00000179890 ( View LC/MS Profile)
SMILES: CCCN1C(=O)N(CC2=CC(I)=C(N)C=C2)C2=C(NC(=N2)C2=CC=C(OCC(O)=O)C=C2)C1=O

Found 19 Sample Hits

m/z	Adducts	Species	Organ	Scanning	Sample
593.1055	[M+NH4]+ `PPM:8.6`	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
540.0477	[M+H-2H2O]+ `PPM:9.3`	Mus musculus	Left upper arm	MALDI (CHCA)	357_l_total ion count - Limb defect imaging - Monash University Resolution: 50μm, 97x131 Description Diseased
540.0548	[M+H-2H2O]+ `PPM:3.9`	Homo sapiens	esophagus	DESI ()	LNTO22_1_3 - MTBLS385 Resolution: 75μm, 121x68 Description
540.0532	[M+H-2H2O]+ `PPM:0.9`	Homo sapiens	colorectal adenocarcinoma	DESI ()	80TopL, 50TopR, 70BottomL, 60BottomR-profile - MTBLS415 Resolution: 17μm, 137x136 Description The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).
540.0616	[M+H-2H2O]+ `PPM:16.5`	Mytilus edulis	mantle	MALDI (DHB)	20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210 - MTBLS2960 Resolution: 10μm, 270x210 Description
598.0469	[M+Na]+ `PPM:14.9`	Mytilus edulis	mantle	MALDI (DHB)	20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210 - MTBLS2960 Resolution: 10μm, 270x210 Description
540.061	[M+H-2H2O]+ `PPM:15.4`	Mytilus edulis	gill	MALDI (DHB)	20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210 - MTBLS2960 Resolution: 11μm, 305x210 Description single cell layer `class_4` is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell
576.0639	[M+H]+ `PPM:17.3`	Mytilus edulis	gill	MALDI (DHB)	20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210 - MTBLS2960 Resolution: 11μm, 305x210 Description single cell layer `class_4` is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell
598.0463	[M+Na]+ `PPM:15.9`	Mytilus edulis	gill	MALDI (DHB)	20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210 - MTBLS2960 Resolution: 11μm, 305x210 Description single cell layer `class_4` is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell
540.0611	[M+H-2H2O]+ `PPM:15.5`	Mytilus edulis	mantle	MALDI (DHB)	20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210 - MTBLS2960 Resolution: 10μm, 275x210 Description
598.0464	[M+Na]+ `PPM:15.7`	Mytilus edulis	mantle	MALDI (DHB)	20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210 - MTBLS2960 Resolution: 10μm, 275x210 Description
540.0503	[M+H-2H2O]+ `PPM:4.5`	Homo sapiens	colorectal adenocarcinoma	DESI ()	520TopL, 490TopR, 510BottomL, 500BottomR-profile - MTBLS415 Resolution: 17μm, 147x131 Description The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).
540.0525	[M+H-2H2O]+ `PPM:0.4`	Homo sapiens	colorectal adenocarcinoma	DESI ()	439TopL, 409TopR, 429BottomL, 419BottomR-profile - MTBLS415 Resolution: 17μm, 157x136 Description The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).
540.0565	[M+H-2H2O]+ `PPM:7`	Homo sapiens	NA	DESI ()	160TopL,130TopR,150BottomL,140BottomR-profile - MTBLS415 Resolution: 17μm, 142x136 Description
540.054	[M+H-2H2O]+ `PPM:2.4`	Homo sapiens	esophagus	DESI ()	LNTO30_7_2 - MTBLS385 Resolution: 75μm, 82x68 Description
540.0536	[M+H-2H2O]+ `PPM:1.6`	Homo sapiens	colorectal adenocarcinoma	DESI ()	240TopL, 210TopR, 230BottomL, 220BottomR-centroid - MTBLS176 Resolution: 50μm, 142x141 Description
540.054	[M+H-2H2O]+ `PPM:2.4`	Homo sapiens	colorectal adenocarcinoma	DESI ()	200TopL, 170TopR, 190BottomL, 180BottomR-centroid - MTBLS176 Resolution: 50μm, 132x126 Description
540.0535	[M+H-2H2O]+ `PPM:1.5`	Homo sapiens	colorectal adenocarcinoma	DESI ()	160TopL,130TopR,150BottomL,140BottomR-centroid - MTBLS176 Resolution: 50μm, 142x136 Description
540.0539	[M+H-2H2O]+ `PPM:2.2`	Homo sapiens	colorectal adenocarcinoma	DESI ()	120TopL, 90TopR, 110BottomL, 100BottomR-centroid - MTBLS176 Resolution: 50μm, 132x136 Description

I-Abopx

Found 19 Sample Hits

20171107_FIT4_DHBpos_p70_s50 - Rappez et al (2021) SpaceM reveals metabolic states of single cells

357_l_total ion count - Limb defect imaging - Monash University

LNTO22_1_3 - MTBLS385

80TopL, 50TopR, 70BottomL, 60BottomR-profile - MTBLS415

20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210 - MTBLS2960

20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210 - MTBLS2960

20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210 - MTBLS2960

20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210 - MTBLS2960

20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210 - MTBLS2960

20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210 - MTBLS2960

20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210 - MTBLS2960

520TopL, 490TopR, 510BottomL, 500BottomR-profile - MTBLS415

439TopL, 409TopR, 429BottomL, 419BottomR-profile - MTBLS415

160TopL,130TopR,150BottomL,140BottomR-profile - MTBLS415

LNTO30_7_2 - MTBLS385

240TopL, 210TopR, 230BottomL, 220BottomR-centroid - MTBLS176

200TopL, 170TopR, 190BottomL, 180BottomR-centroid - MTBLS176

160TopL,130TopR,150BottomL,140BottomR-centroid - MTBLS176

120TopL, 90TopR, 110BottomL, 100BottomR-centroid - MTBLS176