M/Z: 457.0087
Hit 2 annotations: Selumetinib_[M+H]+
; 3-bromo-4-[(3-bromo-4,5-dihydroxyphenyl)methyl]-5-(hydroxymethyl)benzene-1,2-diol_[M+K]+
- 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 15 Reference Ions Near m/z 457.0087
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000063440 Unreliable | 457.0027 | 457.0024 ~ 457.0029 MzDiff: 2.3 ppm |
Selumetinib (BioDeep_00000229504) Formula: C17H15BrClFN4O3 (456) |
4.59 (67%) | Mus musculus [UBERON:0002421] hippocampal formation |
MSI_000060367 Unreliable | 457.0017 | 457.0017 ~ 457.0017 MzDiff: 0.0 ppm |
Polythiazide (BioDeep_00000006597) Formula: C11H13ClF3N3O4S3 (438.9709) |
3.29 (100%) | Mus musculus [UBERON:0002421] hippocampal formation |
MSI_000001295 Unavailable | 456.9999 | 456.9999 ~ 456.9999 MzDiff: none |
Selumetinib (BioDeep_00000229504) Formula: C17H15BrClFN4O3 (456) |
-0.56 (100%) | Mus musculus [UBERON:0001224] renal pelvis |
MSI_000001754 Unavailable | 456.9999 | 456.9999 ~ 456.9999 MzDiff: none |
Selumetinib (BioDeep_00000229504) Formula: C17H15BrClFN4O3 (456) |
-0.56 (100%) | Mus musculus [UBERON:0001225] cortex of kidney |
MSI_000002205 Unavailable | 456.9999 | 456.9999 ~ 456.9999 MzDiff: none |
Selumetinib (BioDeep_00000229504) Formula: C17H15BrClFN4O3 (456) |
-0.55 (100%) | Mus musculus [UBERON:0001293] outer medulla of kidney |
MSI_000002948 Unavailable | 457.0055 | 457.0055 ~ 457.0055 MzDiff: none |
Selumetinib (BioDeep_00000229504) Formula: C17H15BrClFN4O3 (456) |
-0.66 (100%) | Rattus norvegicus [UBERON:0001950] neocortex |
MSI_000003569 Unavailable | 457.0055 | 457.0055 ~ 457.0055 MzDiff: none |
Selumetinib (BioDeep_00000229504) Formula: C17H15BrClFN4O3 (456) |
-0.62 (100%) | Rattus norvegicus [UBERON:0002037] cerebellum |
MSI_000005055 Unavailable | 457.0055 | 457.0055 ~ 457.0055 MzDiff: none |
Selumetinib (BioDeep_00000229504) Formula: C17H15BrClFN4O3 (456) |
-0.45 (100%) | Rattus norvegicus [UBERON:0002298] brainstem |
MSI_000005641 Unavailable | 457.0055 | 457.0055 ~ 457.0055 MzDiff: none |
Selumetinib (BioDeep_00000229504) Formula: C17H15BrClFN4O3 (456) |
-0.33 (100%) | Rattus norvegicus [UBERON:0002435] striatum |
MSI_000033008 Unreliable | 457.0095 | 457.0095 ~ 457.0095 MzDiff: none |
3-bromo-4-[(3-bromo-4,5-dihydroxyphenyl)methyl]-5-(hydroxymethyl)benzene-1,2-diol (BioDeep_00002232723) Formula: C14H12Br2O5 (417.9051) |
2.18 (100%) | Posidonia oceanica [PO:0005020] vascular bundle |
MSI_000034208 Unreliable | 457.0087 | 457.0087 ~ 457.0087 MzDiff: none |
3-bromo-4-[(3-bromo-4,5-dihydroxyphenyl)methyl]-5-(hydroxymethyl)benzene-1,2-diol (BioDeep_00002232723) Formula: C14H12Br2O5 (417.9051) |
2.45 (100%) | Posidonia oceanica [PO:0006036] root epidermis |
MSI_000038789 Unreliable | 457.0104 | 457.0104 ~ 457.0104 MzDiff: none |
3-bromo-4-[(3-bromo-4,5-dihydroxyphenyl)methyl]-5-(hydroxymethyl)benzene-1,2-diol (BioDeep_00002232723) Formula: C14H12Br2O5 (417.9051) |
1.49 (100%) | Posidonia oceanica [PO:0005059] root endodermis |
MSI_000059276 Unreliable | 457.0017 | 457.0017 ~ 457.0017 MzDiff: none |
Polythiazide (BioDeep_00000006597) Formula: C11H13ClF3N3O4S3 (438.9709) |
1.52 (100%) | Mus musculus [UBERON:0001950] neocortex |
MSI_000059664 Unreliable | 457.0024 | 457.0024 ~ 457.0024 MzDiff: none |
Not Annotated | 0.91 (0%) | Mus musculus [UBERON:0002298] brainstem |
MSI_000061479 Unavailable | 457.0029 | 457.0029 ~ 457.0029 MzDiff: none |
Selumetinib (BioDeep_00000229504) Formula: C17H15BrClFN4O3 (456) |
-0.25 (100%) | Mus musculus [UBERON:0000956] cerebral cortex |
Found 7 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
Selumetinib Formula: C17H15BrClFN4O3 (456) Adducts: [M+H]+ (Ppm: 4.1) |
Rattus norvegicus (Brain) |
Spectroswiss - sol_2x_br_2Resolution: 17μm, 488x193
|
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m/z_457.0133 Formula: - (n/a) Adducts: (Ppm: 0) |
Mus musculus (Lung) |
image4Resolution: 40μm, 162x156
Fig 6c
Fig. 6 MALDI-MSI of U13C-PC16:0/16:0 acyl chain remodeling. A: Averaged MALDI mass spectrum from lung tissue collected from mice euthanized 12 h after administration of D9-choline and U13C-DPPC–containing Poractant alfa surfactant. The ion at m/z 828.6321 is assigned as the [M+Na]+ ion of 13C24-PC16:0_20:4 formed by acyl remodeling of U13C-PC16:0/16:0. The “NL” value refers to the intensity of the base peak in the full range MS1 spectrum. B: MS/MS spectrum of precursor ions at m/z 828.5 ± 0.5 with fragment ions originating from [13C24-PC16:0_20:4+Na]+ annotated. Part-per-million (ppm) mass errors are provided in parentheses. C, D: MALDI-MSI data of [U13C-DPPC+Na]+ (blue), [PC36:4+Na]+ (green) and [13C24-PC16:0_20:4+Na]+ (red) in lung tissue collected from mice (C) 12 h and (D) 18 h after label administration. All images were visualized using total-ion-current normalization and hotspot removal (high quantile = 99%). MS/MS, tandem mass spectrometry; MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC. |
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3-bromo-4-[(3-bromo-4,5-dihydroxyphenyl)methyl]-5-(hydroxymethyl)benzene-1,2-diol Formula: C14H12Br2O5 (417.9051) Adducts: [M+K]+ (Ppm: 12.7) |
Posidonia oceanica (root) |
20190614_MS1_A19r-20Resolution: 17μm, 262x276
Seagrasses are one of the most efficient natural sinks of carbon dioxide (CO2) on Earth. Despite covering less than 0.1% of coastal regions, they have the capacity to bury up to 10% of marine organic matter and can bury the same amount of carbon 35 times faster than tropical rainforests. On land, the soil’s ability to sequestrate carbon is intimately linked to microbial metabolism. Despite the growing attention to the link between plant production, microbial communities, and the carbon cycle in terrestrial ecosystems, these processes remain enigmatic in the sea. Here, we show that seagrasses excrete organic sugars, namely in the form of sucrose, into their rhizospheres. Surprisingly, the microbial communities living underneath meadows do not fully use this sugar stock in their metabolism. Instead, sucrose piles up in the sediments to mM concentrations underneath multiple types of seagrass meadows. Sediment incubation experiments show that microbial communities living underneath a meadow use sucrose at low metabolic rates. Our metagenomic analyses revealed that the distinct community of microorganisms occurring underneath meadows is limited in their ability to degrade simple sugars, which allows these compounds to persist in the environment over relatively long periods of time. Our findings reveal how seagrasses form blue carbon stocks despite the relatively small area they occupy. Unfortunately, anthropogenic disturbances are threatening the long-term persistence of seagrass meadows. Given that these sediments contain a large stock of sugars that heterotopic bacteria can degrade, it is even more important to protect these ecosystems from degradation. |
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3-bromo-4-[(3-bromo-4,5-dihydroxyphenyl)methyl]-5-(hydroxymethyl)benzene-1,2-diol Formula: C14H12Br2O5 (417.9051) Adducts: [M+K]+ (Ppm: 16.4) |
Posidonia oceanica (root) |
20190613_MS1_A19r-18Resolution: 17μm, 246x264
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3-bromo-4-[(3-bromo-4,5-dihydroxyphenyl)methyl]-5-(hydroxymethyl)benzene-1,2-diol Formula: C14H12Br2O5 (417.9051) Adducts: [M+K]+ (Ppm: 14.5) |
Posidonia oceanica (root) |
MS1_20180404_PO_1200Resolution: 17μm, 193x208
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Selumetinib Formula: C17H15BrClFN4O3 (456) Adducts: [M+H]+ (Ppm: 6) |
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. |
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m/z_457.0024 Formula: - (n/a) Adducts: (Ppm: 0) |
Mus musculus (brain) |
Brain01_Bregma-3-88b_centroidResolution: 17μm, 265x320
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