M/Z: 844.4533
Hit 3 annotations: 5-hydroxy-n-[6,13,16,21-tetrahydroxy-2-(1-hydroxyethyl)-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,9,22-trioxo-8-(sec-butyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-3,4-dihydro-2h-pyrrole-2-carboximidic acid_[M+H]+
; PA(20:4(5Z,8Z,11Z,14Z)/LTE4)_[M+H-2H2O]+
; PS(18:4(6Z,9Z,12Z,15Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))_[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 7 Reference Ions Near m/z 844.4533
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000046475 Reliable | 844.4603 | 844.4603 ~ 844.4603 MzDiff: none |
PS(18:4(6Z,9Z,12Z,15Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000207013) Formula: C46H70NO11P (843.4686) |
4.49 (100%) | Mus musculus [UBERON:0002107] liver |
MSI_000064699 Reliable | 844.4533 | 844.4533 ~ 844.4533 MzDiff: none |
Not Annotated | (%) | Homo sapiens [UBERON:0001264] pancreas |
MSI_000009111 Unreliable | 844.4501 | 844.4501 ~ 844.4501 MzDiff: none |
5-hydroxy-n-[6,13,16,21-tetrahydroxy-2-(1-hydroxyethyl)-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,9,22-trioxo-8-(sec-butyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-3,4-dihydro-2h-pyrrole-2-carboximidic acid (BioDeep_00002271225) Formula: C41H61N7O12 (843.4378) |
3.07 (100%) | Mus musculus [UBERON:0004645] urinary bladder urothelium |
MSI_000009107 Unreliable | 844.4594 | 844.4594 ~ 844.4594 MzDiff: none |
Tubulysin A (BioDeep_00000010847) Formula: C43H65N5O10S (843.4452) |
3.08 (100%) | Mus musculus [UBERON:0004645] urinary bladder urothelium |
MSI_000000762 Unavailable | 844.4501 | 844.4501 ~ 844.4501 MzDiff: none |
5-hydroxy-n-[6,13,16,21-tetrahydroxy-2-(1-hydroxyethyl)-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,9,22-trioxo-8-(sec-butyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-3,4-dihydro-2h-pyrrole-2-carboximidic acid (BioDeep_00002271225) Formula: C41H61N7O12 (843.4378) |
-0.58 (100%) | Mus musculus [CL:0000066] epithelial cell |
MSI_000000757 Unavailable | 844.4594 | 844.4594 ~ 844.4594 MzDiff: none |
Tubulysin A (BioDeep_00000010847) Formula: C43H65N5O10S (843.4452) |
-0.58 (100%) | Mus musculus [CL:0000066] epithelial cell |
MSI_000026622 Unreliable | 844.4613 | 844.4613 ~ 844.4613 MzDiff: none |
PS(18:4(6Z,9Z,12Z,15Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000207013) Formula: C46H70NO11P (843.4686) |
1.79 (100%) | Mus musculus [UBERON:0002048] lung |
Found 4 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
5-hydroxy-n-[6,13,16,21-tetrahydroxy-2-(1-hydroxyethyl)-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,9,22-trioxo-8-(sec-butyl)-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-3,4-dihydro-2h-pyrrole-2-carboximidic acid Formula: C41H61N7O12 (843.4378) Adducts: [M+H]+ (Ppm: 6) |
Mus musculus (Urinary bladder) |
HR2MSI_mouse_urinary_bladder - S096Resolution: 10μm, 260x134
Mass spectrometry imaging of phospholipids in mouse urinary bladder (imzML dataset) |
|
PA(20:4(5Z,8Z,11Z,14Z)/LTE4) Formula: C46H74NO11PS (879.472) Adducts: [M+H-2H2O]+ (Ppm: 0.8) |
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. |
|
PS(18:4(6Z,9Z,12Z,15Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C46H70NO11P (843.4686) Adducts: [M+H]+ (Ppm: 18.5) |
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. |
|
m/z_844.4533 Formula: - (n/a) Adducts: (Ppm: ) |
Homo sapiens (Pancreas) |
tma6Resolution: 17μm, 368x255
Sample information
Organism: Homo sapiens (human)
Organism part: Pancreas
Condition: N/A
Sample preparation
Sample stabilisation: Paraformaldehyde fixed
Tissue modification: None
MALDI matrix: CHCA
MALDI matrix application: quantification
Solvent: none
MS analysis
Polarity: Positive
Ionisation source: MALDI
Analyzer: timsTOF fleX
Pixel size: 0.1μm × 0.1μm
Annotation settings
m/z tolerance (ppm): 3
Analysis version: Original MSM
Pixel count: 43035
Imzml file size: 94.45 MB
Ibd file size: 2.41 GB |
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