4-bromo-n-{[(1r,2r,3s,4s)-2-{[(4-bromo-1h-pyrrol-2-yl)formamido]methyl}-3-[(4r)-5-hydroxy-2-imino-3,4-dihydroimidazol-4-yl]-4-(2-imino-1,3-dihydroimidazol-4-yl)cyclobutyl]methyl}-1h-pyrrole-2-carboxamide

4-bromo-n-{[(1r,2r,3s,4s)-2-{[(4-bromo-1h-pyrrol-2-yl)formamido]methyl}-3-[(4r)-5-hydroxy-2-imino-3,4-dihydroimidazol-4-yl]-4-(2-imino-1,3-dihydroimidazol-4-yl)cyclobutyl]methyl}-1h-pyrrole-2-carboxamide

Formula: C22H24Br2N10O3 (634.0399)
Chinese Name:
BioDeep ID: BioDeep_00002071366 ( View LC/MS Profile)
SMILES: N=C1N=C(O)[C@@H]([C@@H]2[C@@H](c3c[nH]c(=N)[nH]3)[C@H](CNC(=O)c3cc(Br)c[nH]3)[C@H]2CNC(=O)c2cc(Br)c[nH]2)N1



Found 9 Sample Hits

m/z Adducts Species Organ Scanning Sample
657.0165 [M+Na]+
PPM:19.3		 Mus musculus Urinary bladder MALDI (CHCA)
HR2MSI_mouse_urinary_bladder - S096 - PXD001283
Resolution: 10μm, 260x134

Description

Mass spectrometry imaging of phospholipids in mouse urinary bladder (imzML dataset)
The spatial distribution of phospholipids in a tissue section of mouse urinary bladder was analyzed by MALDI MS imaging at 10 micrometer pixel size with high mass resolution (using an LTQ Orbitrap mass spectrometer).

R, ö, mpp A, Guenther S, Schober Y, Schulz O, Takats Z, Kummer W, Spengler B, Histology by mass spectrometry: label-free tissue characterization obtained from high-accuracy bioanalytical imaging. Angew Chem Int Ed Engl, 49(22):3834-8(2010)

Fig. S2: Single ion images of compounds shown in Fig. 1A-B : (upper left to lower right) m/z = 743.5482 (unknown), m/z = 741.5307 (SM (16:0), [M+K]+), m/z = 798.5410 (PC (34:1), [M+K]+), m/z = 616.1767 (heme b, M+), m/z = 772.5253 (PC (32:0), [M+K]+).

Stability of determined mass values was in the range of +/- 1 ppm over 22 hours of measurement (Fig. S4), with a standard deviation of 0.56 ppm. Accuracy data were obtained during tissue scanning experiments by monitoring the mass signal at nominal mass 798. The internal lock mass function of the Orbitrap instrument was used for automatic calibration during imaging measurements, using the known matrix-related ion signals at m/z = 137.0233, m/z = 444.0925 and m/z = 716.1246.
635.0388 [M+H]+
PPM:13.3		 Vitis vinifera Fruit MALDI (DHB)
grape_dhb_91_1 - Grape Database
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe
635.0441 [M+H]+
PPM:4.9		 Vitis vinifera Fruit MALDI (DHB)
grape_dhb_164_1 - Grape Database
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late
657.026 [M+Na]+
PPM:4.8		 Vitis vinifera Fruit MALDI (DHB)
grape_dhb_164_1 - Grape Database
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late
635.0388 [M+H]+
PPM:13.3		 Vitis vinifera Fruit MALDI (DHB)
grape_dhb_163_1 - Grape Database
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late
635.0591 [M+H]+
PPM:18.7		 Mytilus edulis mantle MALDI (DHB)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210 - MTBLS2960
Resolution: 10μm, 270x210

Description

617.0275 [M+H-H2O]+
PPM:14.8		 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
635.0585 [M+H]+
PPM:17.8		 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
635.0585 [M+H]+
PPM:17.8		 Mytilus edulis mantle MALDI (DHB)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210 - MTBLS2960
Resolution: 10μm, 275x210

Description