M/Z: 545.0897

Hit 2 annotations: dTDP-3-methyl-4-oxo-2,6-dideoxy-L-allose_[M+H]+; Urolithin A 3,8-O-diglucuronide_[M+H-2H2O]+

在BioDeep NovoCell知识数据库中，参考离子总共被划分为4个级别。

Confirmed: 这个参考离子已经通过手动审计得到确认和验证。
Reliable: 这个参考离子可能在特定的解剖组织环境中高度保守。
Unreliable: 这个参考离子具有较高的排名价值，但缺乏可重复性。
Unavailable: 由于排名价值低且缺乏可重复性，这个参考离子不应用于注释。

Found 6 Reference Ions Near m/z 545.0897

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000011187 Unreliable	545.0897	545.0897 ~ 545.0897 MzDiff: `none`	dTDP-3-methyl-4-oxo-2,6-dideoxy-L-allose (BioDeep_00000008957) Formula: C17H26N2O14P2 (544.0859)	1.82 (100%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000011189 Unreliable	545.0818	545.0818 ~ 545.0818 MzDiff: `none`	Urolithin A 3,8-O-diglucuronide (BioDeep_00000036518) Formula: C25H24O16 (580.1064)	1.82 (100%)	Mus musculus [UBERON:0012378] muscle layer of urinary bladder
MSI_000009396 Unavailable	545.0897	545.0897 ~ 545.0897 MzDiff: `none`	dTDP-3-methyl-4-oxo-2,6-dideoxy-L-allose (BioDeep_00000008957) Formula: C17H26N2O14P2 (544.0859)	-0.29 (100%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000009444 Unavailable	545.0818	545.0818 ~ 545.0818 MzDiff: `none`	Urolithin A 3,8-O-diglucuronide (BioDeep_00000036518) Formula: C25H24O16 (580.1064)	-0.44 (100%)	Mus musculus [UBERON:0004645] urinary bladder urothelium
MSI_000000964 Unavailable	545.0897	545.0897 ~ 545.0897 MzDiff: `none`	dTDP-3-methyl-4-oxo-2,6-dideoxy-L-allose (BioDeep_00000008957) Formula: C17H26N2O14P2 (544.0859)	-0.86 (100%)	Mus musculus [CL:0000066] epithelial cell
MSI_000000978 Unavailable	545.0818	545.0818 ~ 545.0818 MzDiff: `none`	Urolithin A 3,8-O-diglucuronide (BioDeep_00000036518) Formula: C25H24O16 (580.1064)	-0.87 (100%)	Mus musculus [CL:0000066] epithelial cell

Found 2 Sample Hits

Metabolite	Species	Sample
dTDP-3-methyl-4-oxo-2,6-dideoxy-L-allose Formula: C17H26N2O14P2 (544.0859) Adducts: [M+H]+ (Ppm: 6.4)	Mus musculus (Urinary bladder)	HR2MSI_mouse_urinary_bladder - S096 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.
Urolithin A 3,8-O-diglucuronide Formula: C25H24O16 (580.1064) Adducts: [M+H-2H2O]+ (Ppm: 8.7)	Mus musculus (Lung)	image2 Resolution: 40μm, 550x256 Description Supplementary Figure S6. Ion distribution images for (a) [PC36:4+Na]+ (m/z 804.5514) and (b) [PC38:6+Na]+ (m/z 828.5515) obtained from mouse lung tissue collected 6 h after administration of D9- choline and U13C-DPPC–containing CHF5633. Parts-per-million (ppm) mass errors are indicated in parentheses. (c) Magnification of the boxed region in (a) with selected bronchiolar regions outlined in white boxes. (d) The corresponding H&E-stained tissue section with the same selected bronchiolar regions outlined in black boxes. These data demonstrate the co-localisation of the polyunsaturated lipids PC36:4 and PC38:6 with the bronchiolar regions of the lung. All MSI images were visualised using total ion current normalisation and hotspot removal (high quantile = 99%).

Metabolite

Species

Sample

dTDP-3-methyl-4-oxo-2,6-dideoxy-L-allose

Formula: C17H26N2O14P2 (544.0859)
Adducts: [M+H]+ (Ppm: 6.4)

Mus musculus (Urinary bladder)

HR2MSI_mouse_urinary_bladder - S096

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.

Urolithin A 3,8-O-diglucuronide

Formula: C25H24O16 (580.1064)
Adducts: [M+H-2H2O]+ (Ppm: 8.7)

Mus musculus (Lung)

image2

Resolution: 40μm, 550x256

Description

Supplementary Figure S6. Ion distribution images for (a) [PC36:4+Na]+ (m/z 804.5514) and (b) [PC38:6+Na]+ (m/z 828.5515) obtained from mouse lung tissue collected 6 h after administration of D9- choline and U13C-DPPC–containing CHF5633. Parts-per-million (ppm) mass errors are indicated in parentheses. (c) Magnification of the boxed region in (a) with selected bronchiolar regions outlined in white boxes. (d) The corresponding H&E-stained tissue section with the same selected bronchiolar regions outlined in black boxes. These data demonstrate the co-localisation of the polyunsaturated lipids PC36:4 and PC38:6 with the bronchiolar regions of the lung. All MSI images were visualised using total ion current normalisation and hotspot removal (high quantile = 99%).