M/Z: 816.4367
Hit 4 annotations: (2s)-1-[(2s)-2-[(2s)-2-{[(2r,3r)-10-chloro-1,2-dihydroxy-3-(methylamino)decylidene]amino}-3-(4-hydroxyphenyl)-n-methylpropanamido]-4-methylpentanoyl]-n-[(2s)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]pyrrolidine-2-carboximidic acid_[M+H]+
; Cyclosquamosin B_[M+H-2H2O]+
; PGP(a-13:0/18:2(10E,12Z)+=O(9))_[M+NH4]+
; PS(18:4(6Z,9Z,12Z,15Z)/PGJ2)_[M+H-H2O]+
- 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 11 Reference Ions Near m/z 816.4367
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000063283 Reliable | 816.4346 | 816.4345 ~ 816.4347 MzDiff: 1.0 ppm |
PA(18:4(6Z,9Z,12Z,15Z)/LTE4) (BioDeep_00000189334) Formula: C44H70NO11PS (851.4407) |
0.7 (80%) | Mus musculus [UBERON:0000956] cerebral cortex |
MSI_000022029 Unreliable | 816.4358 | 816.4358 ~ 816.4358 MzDiff: none |
Cyclosquamosin B (BioDeep_00000228173) Formula: C39H65N9O10S (851.4575) |
0.49 (100%) | Mus musculus [UBERON:0001499] muscle of arm |
MSI_000058590 Unreliable | 816.4346 | 816.4346 ~ 816.4346 MzDiff: 0.0 ppm |
PA(18:4(6Z,9Z,12Z,15Z)/LTE4) (BioDeep_00000189334) Formula: C44H70NO11PS (851.4407) |
3.36 (50%) | Mus musculus [UBERON:0001950] neocortex |
MSI_000062940 Unreliable | 816.4367 | 816.4367 ~ 816.4367 MzDiff: none |
PGP(a-13:0/18:2(10E,12Z)+=O(9)) (BioDeep_00000199312) Formula: C37H68O14P2 (798.4084) |
1.41 (100%) | Mus musculus [UBERON:0000956] cerebral cortex |
MSI_000002961 Unavailable | 816.4337 | 816.4337 ~ 816.4337 MzDiff: none |
(2s)-1-[(2s)-2-[(2s)-2-{[(2r,3r)-10-chloro-1,2-dihydroxy-3-(methylamino)decylidene]amino}-3-(4-hydroxyphenyl)-n-methylpropanamido]-4-methylpentanoyl]-n-[(2s)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]pyrrolidine-2-carboximidic acid (BioDeep_00002184526) Formula: C42H62ClN5O9 (815.4236) |
-0.69 (100%) | Rattus norvegicus [UBERON:0001950] neocortex |
MSI_000003657 Unavailable | 816.4337 | 816.4337 ~ 816.4337 MzDiff: none |
(2s)-1-[(2s)-2-[(2s)-2-{[(2r,3r)-10-chloro-1,2-dihydroxy-3-(methylamino)decylidene]amino}-3-(4-hydroxyphenyl)-n-methylpropanamido]-4-methylpentanoyl]-n-[(2s)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]pyrrolidine-2-carboximidic acid (BioDeep_00002184526) Formula: C42H62ClN5O9 (815.4236) |
-0.87 (100%) | Rattus norvegicus [UBERON:0002037] cerebellum |
MSI_000005307 Unavailable | 816.4337 | 816.4337 ~ 816.4337 MzDiff: none |
(2s)-1-[(2s)-2-[(2s)-2-{[(2r,3r)-10-chloro-1,2-dihydroxy-3-(methylamino)decylidene]amino}-3-(4-hydroxyphenyl)-n-methylpropanamido]-4-methylpentanoyl]-n-[(2s)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]pyrrolidine-2-carboximidic acid (BioDeep_00002184526) Formula: C42H62ClN5O9 (815.4236) |
-0.91 (100%) | Rattus norvegicus [UBERON:0002298] brainstem |
MSI_000005524 Unreliable | 816.4337 | 816.4337 ~ 816.4337 MzDiff: none |
(2s)-1-[(2s)-2-[(2s)-2-{[(2r,3r)-10-chloro-1,2-dihydroxy-3-(methylamino)decylidene]amino}-3-(4-hydroxyphenyl)-n-methylpropanamido]-4-methylpentanoyl]-n-[(2s)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]pyrrolidine-2-carboximidic acid (BioDeep_00002184526) Formula: C42H62ClN5O9 (815.4236) |
1.62 (100%) | Rattus norvegicus [UBERON:0002435] striatum |
MSI_000059958 Unavailable | 816.4346 | 816.4346 ~ 816.4346 MzDiff: none |
Not Annotated | -0.75 (0%) | Mus musculus [UBERON:0002298] brainstem |
MSI_000060643 Unavailable | 816.4346 | 816.4346 ~ 816.4346 MzDiff: none |
Not Annotated | -0.39 (0%) | Mus musculus [UBERON:0002421] hippocampal formation |
MSI_000063050 Unreliable | 816.4367 | 816.4367 ~ 816.4367 MzDiff: none |
PGP(a-13:0/18:2(10E,12Z)+=O(9)) (BioDeep_00000199312) Formula: C37H68O14P2 (798.4084) |
0.16 (100%) | Mus musculus [UBERON:0002421] hippocampal formation |
Found 6 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
(2s)-1-[(2s)-2-[(2s)-2-{[(2r,3r)-10-chloro-1,2-dihydroxy-3-(methylamino)decylidene]amino}-3-(4-hydroxyphenyl)-n-methylpropanamido]-4-methylpentanoyl]-n-[(2s)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]pyrrolidine-2-carboximidic acid Formula: C42H62ClN5O9 (815.4236) Adducts: [M+H]+ (Ppm: 3.5) |
Rattus norvegicus (Brain) |
Spectroswiss - sol_2x_br_2Resolution: 17μm, 488x193
|
|
Cyclosquamosin B Formula: C39H65N9O10S (851.4575) Adducts: [M+H-2H2O]+ (Ppm: 9.6) |
Mus musculus (Left upper arm) |
357_l_total ion countResolution: 50μm, 97x131
Diseased |
|
Cyclosquamosin B Formula: C39H65N9O10S (851.4575) Adducts: [M+H-2H2O]+ (Ppm: 13.9) |
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. |
|
Cyclosquamosin B Formula: C39H65N9O10S (851.4575) Adducts: [M+H-2H2O]+ (Ppm: 12.8) |
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. |
|
PGP(a-13:0/18:2(10E,12Z)+=O(9)) Formula: C37H68O14P2 (798.4084) Adducts: [M+NH4]+ (Ppm: 6.8) |
Mus musculus (brain) |
Brain01_Bregma1-42_01_centroidResolution: 17μm, 447x118
|
|
PS(18:4(6Z,9Z,12Z,15Z)/PGJ2) Formula: C44H68NO12P (833.4479) Adducts: [M+H-H2O]+ (Ppm: 12.4) |
Mus musculus (brain) |
Brain02_Bregma-3-88Resolution: 17μm, 288x282
|
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