M/Z: 804.4989
Hit 4 annotations: Tacrolimus_[M+H]+
; Majonoside R2_[M+NH4]+
; PG(a-15:0/PGE2)_[M-H2O+NH4]+
; PE(16:1(9Z)/6 keto-PGF1alpha)_[M+H]+
- 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 20 Reference Ions Near m/z 804.4989
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000006406 Reliable | 804.4946 | 804.4943 ~ 804.4948 MzDiff: 2.1 ppm |
Tacrolimus (BioDeep_00000000218) Formula: C44H69NO12 (803.482) |
8.75 (100%) | Rattus norvegicus [UBERON:0004358] caput epididymis |
MSI_000060333 Unreliable | 804.4936 | 804.4933 ~ 804.494 MzDiff: 3.0 ppm |
Tacrolimus (BioDeep_00000000218) Formula: C44H69NO12 (803.482) |
3.8 (100%) | Mus musculus [UBERON:0002421] hippocampal formation |
MSI_000061530 Unavailable | 804.4958 | 804.4958 ~ 804.4958 MzDiff: 0.2 ppm |
Tacrolimus (BioDeep_00000000218) Formula: C44H69NO12 (803.482) |
-0.44 (100%) | Mus musculus [UBERON:0000956] cerebral cortex |
MSI_000021469 Unreliable | 804.4989 | 804.4989 ~ 804.4989 MzDiff: none |
Majonoside R2 (BioDeep_00000019821) Formula: C41H70O14 (786.4765) |
0.89 (100%) | Mus musculus [UBERON:0001499] muscle of arm |
MSI_000021673 Unreliable | 804.4921 | 804.4921 ~ 804.4921 MzDiff: none |
Tacrolimus (BioDeep_00000000218) Formula: C44H69NO12 (803.482) |
0.75 (100%) | Mus musculus [UBERON:0001499] muscle of arm |
MSI_000062594 Unreliable | 804.4958 | 804.4958 ~ 804.4958 MzDiff: 0.2 ppm |
Tacrolimus (BioDeep_00000000218) Formula: C44H69NO12 (803.482) |
2.47 (100%) | Mus musculus [UBERON:0002421] hippocampal formation |
MSI_000002644 Unavailable | 804.4942 | 804.4942 ~ 804.4942 MzDiff: none |
Tacrolimus (BioDeep_00000000218) Formula: C44H69NO12 (803.482) |
-0.04 (100%) | Rattus norvegicus [UBERON:0001950] neocortex |
MSI_000003388 Unavailable | 804.4942 | 804.4942 ~ 804.4942 MzDiff: none |
Tacrolimus (BioDeep_00000000218) Formula: C44H69NO12 (803.482) |
-0.35 (100%) | Rattus norvegicus [UBERON:0002037] cerebellum |
MSI_000004781 Unreliable | 804.4942 | 804.4942 ~ 804.4942 MzDiff: none |
Tacrolimus (BioDeep_00000000218) Formula: C44H69NO12 (803.482) |
2.07 (100%) | Rattus norvegicus [UBERON:0002298] brainstem |
MSI_000005860 Unavailable | 804.4942 | 804.4942 ~ 804.4942 MzDiff: none |
Tacrolimus (BioDeep_00000000218) Formula: C44H69NO12 (803.482) |
-0.77 (100%) | Rattus norvegicus [UBERON:0002435] striatum |
MSI_000023154 Unreliable | 804.4921 | 804.4921 ~ 804.4921 MzDiff: none |
Tacrolimus (BioDeep_00000000218) Formula: C44H69NO12 (803.482) |
0.52 (100%) | Mus musculus [UBERON:0004250] upper arm bone |
MSI_000029381 Unreliable | 804.4952 | 804.4952 ~ 804.4952 MzDiff: none |
PE(16:1(9Z)/6 keto-PGF1alpha) (BioDeep_00000186010) Formula: C41H74NO12P (803.4948) |
1.09 (100%) | Macropus giganteus [UBERON:0002336] corpus callosum |
MSI_000029964 Unavailable | 804.5037 | 804.5037 ~ 804.5037 MzDiff: none |
PE(18:2(9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000186474) Formula: C45H74NO9P (803.5101) |
-0.38 (100%) | Macropus giganteus [UBERON:0002336] corpus callosum |
MSI_000031868 Unavailable | 804.5037 | 804.5037 ~ 804.5037 MzDiff: none |
PE(18:2(9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000186474) Formula: C45H74NO9P (803.5101) |
-0.24 (100%) | Macropus giganteus [UBERON:0006093] precuneus cortex |
MSI_000031884 Unavailable | 804.4952 | 804.4952 ~ 804.4952 MzDiff: none |
PE(16:1(9Z)/6 keto-PGF1alpha) (BioDeep_00000186010) Formula: C41H74NO12P (803.4948) |
-0.25 (100%) | Macropus giganteus [UBERON:0006093] precuneus cortex |
MSI_000044220 Unreliable | 804.494 | 804.494 ~ 804.494 MzDiff: none |
Tacrolimus (BioDeep_00000000218) Formula: C44H69NO12 (803.482) |
0.61 (100%) | Rattus norvegicus [UBERON:0002264] olfactory bulb |
MSI_000049762 Unreliable | 804.4936 | 804.4936 ~ 804.4936 MzDiff: none |
Tacrolimus (BioDeep_00000000218) Formula: C44H69NO12 (803.482) |
1.58 (100%) | Mytilus edulis [UBERON:0009120] gill filament |
MSI_000050865 Unreliable | 804.4936 | 804.4936 ~ 804.4936 MzDiff: none |
Tacrolimus (BioDeep_00000000218) Formula: C44H69NO12 (803.482) |
0.76 (100%) | Mytilus edulis [UBERON:2001856] gill ray |
MSI_000059296 Unavailable | 804.4933 | 804.4933 ~ 804.4933 MzDiff: none |
Tacrolimus (BioDeep_00000000218) Formula: C44H69NO12 (803.482) |
-1.13 (100%) | Mus musculus [UBERON:0001950] neocortex |
MSI_000059681 Unreliable | 804.4933 | 804.4933 ~ 804.4933 MzDiff: none |
Tacrolimus (BioDeep_00000000218) Formula: C44H69NO12 (803.482) |
0.78 (100%) | Mus musculus [UBERON:0002298] brainstem |
Found 9 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
Tacrolimus Formula: C44H69NO12 (803.482) Adducts: [M+H]+ (Ppm: 6.2) |
Rattus norvegicus (Brain) |
Spectroswiss - sol_2x_br_2Resolution: 17μm, 488x193
|
|
Majonoside R2 Formula: C41H70O14 (786.4765) Adducts: [M+NH4]+ (Ppm: 14.2) |
Mus musculus (Left upper arm) |
357_l_total ion countResolution: 50μm, 97x131
Diseased |
|
PG(a-15:0/PGE2) Formula: C41H73O13P (804.4789) Adducts: [M-H2O+NH4]+ (Ppm: 5.7) |
Mus musculus (Lung) |
image3Resolution: 40μm, 146x190
Fig. 4 MALDI-MSI data of mouse lung tissue after administration with D9-choline and U13C-DPPC–containing Poractant alfa surfactant (labels administered 12 h prior to tissue collection). Ion images of (A) m/z 796.6856 ([U13C-DPPC+Na]+), (B) m/z 756.5154 [PC32:0+Na]+), and (C) m/z 765.6079 ([D9-PC32:0+Na]+). D: Overlay image of [U13C-PC32:0+Na]+ (red) and [D9-PC32:0+Na]+ (green). Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC. |
|
Tacrolimus Formula: C44H69NO12 (803.482) Adducts: [M+H]+ (Ppm: 7.7) |
Mus musculus (Lung) |
image5Resolution: 40μm, 163x183
Supplementary Figure S8. MALDI-MSI data of mouse lung tissue administered with D9-choline and
U 13C-DPPC–containing Poractant alfa surfactant (labels administered 18 h prior to sacrifice). Ion
images of (a) m/z 796.6856 ([U13C-DPPC+Na]+), (b) m/z 756.5154 [PC32:0+Na]+ and (c) m/z 765.6079
([D9-PC32:0+Na]+). (d) Overlay image of [U13C-DPPC+Na]+ (red) and [D9-PC32:0+Na]+ (green).
Parts per million (ppm) mass errors are indicated in parentheses. All images were visualised using totalion-current normalisation and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. |
|
Tacrolimus Formula: C44H69NO12 (803.482) Adducts: [M+H]+ (Ppm: 8.9) |
Mus musculus (Lung) |
image2Resolution: 40μm, 550x256
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%). |
|
PE(16:1(9Z)/6 keto-PGF1alpha) Formula: C41H74NO12P (803.4948) Adducts: [M+H]+ (Ppm: 8.6) |
Macropus giganteus (Brain) |
170321_kangaroobrain-dan3-pos_maxof50.0_med1Resolution: 50μm, 81x50
Sample information
Organism: Macropus giganteus (kangaroo)
Organism part: Brain
Condition: Wildtype
Sample growth conditions: Wild |
|
Tacrolimus Formula: C44H69NO12 (803.482) Adducts: [M+H]+ (Ppm: 0.2) |
Mus musculus (Liver) |
Salmonella_final_pos_recalResolution: 17μm, 691x430
A more complete and holistic view on host–microbe interactions is needed to understand the physiological and cellular barriers that affect the efficacy of drug treatments and allow the discovery and development of new therapeutics. Here, we developed a multimodal imaging approach combining histopathology with mass spectrometry imaging (MSI) and same section imaging mass cytometry (IMC) to study the effects of Salmonella Typhimurium infection in the liver of a mouse model using the S. Typhimurium strains SL3261 and SL1344. This approach enables correlation of tissue morphology and specific cell phenotypes with molecular images of tissue metabolism. IMC revealed a marked increase in immune cell markers and localization in immune aggregates in infected tissues. A correlative computational method (network analysis) was deployed to find metabolic features associated with infection and revealed metabolic clusters of acetyl carnitines, as well as phosphatidylcholine and phosphatidylethanolamine plasmalogen species, which could be associated with pro-inflammatory immune cell types. By developing an IMC marker for the detection of Salmonella LPS, we were further able to identify and characterize those cell types which contained S. Typhimurium.
[dataset] Nicole Strittmatter. Holistic Characterization of a Salmonella Typhimurium Infection Model Using Integrated Molecular Imaging, metabolights_dataset, V1; 2022. https://www.ebi.ac.uk/metabolights/MTBLS2671. |
|
Tacrolimus Formula: C44H69NO12 (803.482) Adducts: [M+H]+ (Ppm: 5.4) |
Mytilus edulis (gill) |
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210Resolution: 11μm, 305x210
single cell layer |
|
Tacrolimus Formula: C44H69NO12 (803.482) Adducts: [M+H]+ (Ppm: 4.8) |
Mus musculus (brain) |
Brain02_Bregma-3-88Resolution: 17μm, 288x282
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