M/Z: 534.3243
Hit 4 annotations: 2-[(2-{2-[(1,4-dihydroxy-2-{[hydroxy(phenyl)methylidene]amino}butylidene)amino]-n-methylpropanamido}-1-hydroxy-4-methylpentylidene)amino]-3-methylpentanoic acid_[M-H2O+NH4]+
; Methyl 2-(3-(((3-(6-amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)propyl)(3-morpholinopropyl)amino)methyl)phenyl)acetate_[M+H-2H2O]+
; LysoPC(22:5/0:0)_[M+H-2H2O]+
; 19-Benzyl-7-hydroxy-7,9,16,17-tetramethyl-2,4,15-trioxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-5,11-diene-3,8,21-trione_[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 10 Reference Ions Near m/z 534.3243
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000011630 Unavailable | 534.321 | 534.321 ~ 534.321 MzDiff: none |
2-[(2-{2-[(1,4-dihydroxy-2-{[hydroxy(phenyl)methylidene]amino}butylidene)amino]-n-methylpropanamido}-1-hydroxy-4-methylpentylidene)amino]-3-methylpentanoic acid (BioDeep_00002088494) Formula: C27H42N4O7 (534.3053) |
-1.62 (100%) | Mus musculus [UBERON:0012378] muscle layer of urinary bladder |
MSI_000010316 Unavailable | 534.3186 | 534.3185 ~ 534.3186 MzDiff: 0.7 ppm |
2-aminoethoxy([(12e)-22-hydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]pentacos-12-en-2-yl]oxy)phosphinic acid (BioDeep_00002160537) Formula: C26H48NO8P (533.3117) |
-0.76 (100%) | Bathymodiolus [UBERON:0009120] gill filament |
MSI_000009053 Unreliable | 534.3152 | 534.3152 ~ 534.3152 MzDiff: none |
2-aminoethoxy([(12e)-22-hydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]pentacos-12-en-2-yl]oxy)phosphinic acid (BioDeep_00002160537) Formula: C26H48NO8P (533.3117) |
3.12 (100%) | Mus musculus [UBERON:0004645] urinary bladder urothelium |
MSI_000009244 Unreliable | 534.321 | 534.321 ~ 534.321 MzDiff: none |
2-[(2-{2-[(1,4-dihydroxy-2-{[hydroxy(phenyl)methylidene]amino}butylidene)amino]-n-methylpropanamido}-1-hydroxy-4-methylpentylidene)amino]-3-methylpentanoic acid (BioDeep_00002088494) Formula: C27H42N4O7 (534.3053) |
2.47 (100%) | Mus musculus [UBERON:0004645] urinary bladder urothelium |
MSI_000011744 Unreliable | 534.3186 | 534.3186 ~ 534.3186 MzDiff: 0.0 ppm |
2-aminoethoxy([(12e)-22-hydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]pentacos-12-en-2-yl]oxy)phosphinic acid (BioDeep_00002160537) Formula: C26H48NO8P (533.3117) |
2.49 (100%) | Bathymodiolus [UBERON:2000211] gill lamella |
MSI_000000340 Unreliable | 534.321 | 534.321 ~ 534.321 MzDiff: none |
2-[(2-{2-[(1,4-dihydroxy-2-{[hydroxy(phenyl)methylidene]amino}butylidene)amino]-n-methylpropanamido}-1-hydroxy-4-methylpentylidene)amino]-3-methylpentanoic acid (BioDeep_00002088494) Formula: C27H42N4O7 (534.3053) |
0.65 (100%) | Mus musculus [CL:0000066] epithelial cell |
MSI_000000431 Unavailable | 534.3152 | 534.3152 ~ 534.3152 MzDiff: none |
2-aminoethoxy([(12e)-22-hydroxy-8-methyl-6-oxo-7,25-dioxabicyclo[22.1.0]pentacos-12-en-2-yl]oxy)phosphinic acid (BioDeep_00002160537) Formula: C26H48NO8P (533.3117) |
-0.06 (100%) | Mus musculus [CL:0000066] epithelial cell |
MSI_000049582 Unreliable | 534.332 | 534.332 ~ 534.332 MzDiff: none |
LysoPC(22:5/0:0) (BioDeep_00000031492) Formula: C30H52NO7P (569.3481) |
1.85 (100%) | Mytilus edulis [UBERON:0009120] gill filament |
MSI_000050879 Unreliable | 534.332 | 534.332 ~ 534.332 MzDiff: none |
LysoPC(22:5/0:0) (BioDeep_00000031492) Formula: C30H52NO7P (569.3481) |
0.73 (100%) | Mytilus edulis [UBERON:2001856] gill ray |
MSI_000056939 Unreliable | 534.3282 | 534.3282 ~ 534.3282 MzDiff: none |
LysoPC(22:5/0:0) (BioDeep_00000031492) Formula: C30H52NO7P (569.3481) |
1.59 (100%) | Homo sapiens [UBERON:0007779] transudate |
Found 8 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
2-[(2-{2-[(1,4-dihydroxy-2-{[hydroxy(phenyl)methylidene]amino}butylidene)amino]-n-methylpropanamido}-1-hydroxy-4-methylpentylidene)amino]-3-methylpentanoic acid Formula: C27H42N4O7 (534.3053) Adducts: [M-H2O+NH4]+ (Ppm: 14.2) |
Mus musculus (Urinary bladder) |
HR2MSI_mouse_urinary_bladder - S096Resolution: 10μm, 260x134
Mass spectrometry imaging of phospholipids in mouse urinary bladder (imzML dataset) |
|
Methyl 2-(3-(((3-(6-amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)propyl)(3-morpholinopropyl)amino)methyl)phenyl)acetate Formula: C29H43N7O5 (569.3326) Adducts: [M+H-2H2O]+ (Ppm: 5.1) |
Homo sapiens (esophagus) |
LNTO22_1_3Resolution: 75μm, 121x68
|
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LysoPC(22:5/0:0) Formula: C30H52NO7P (569.3481) Adducts: [M+H-2H2O]+ (Ppm: 11.4) |
Homo sapiens (esophagus) |
LNTO22_1_4Resolution: 17μm, 82x80
|
|
LysoPC(22:5/0:0) Formula: C30H52NO7P (569.3481) Adducts: [M+H-2H2O]+ (Ppm: 13) |
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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19-Benzyl-7-hydroxy-7,9,16,17-tetramethyl-2,4,15-trioxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-5,11-diene-3,8,21-trione Formula: C28H33NO7 (495.2257) Adducts: [M+K]+ (Ppm: 1.6) |
Homo sapiens (colorectal adenocarcinoma) |
80TopL, 50TopR, 70BottomL, 60BottomR-profileResolution: 17μm, 137x136
The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024). |
|
Methyl 2-(3-(((3-(6-amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)propyl)(3-morpholinopropyl)amino)methyl)phenyl)acetate Formula: C29H43N7O5 (569.3326) Adducts: [M+H-2H2O]+ (Ppm: 6) |
Homo sapiens (colorectal adenocarcinoma) |
439TopL, 409TopR, 429BottomL, 419BottomR-profileResolution: 17μm, 157x136
The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024). |
|
Methyl 2-(3-(((3-(6-amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)propyl)(3-morpholinopropyl)amino)methyl)phenyl)acetate Formula: C29H43N7O5 (569.3326) Adducts: [M+H-2H2O]+ (Ppm: 3.9) |
Homo sapiens (esophagus) |
LNTO22_1_8Resolution: 75μm, 69x61
|
|
Methyl 2-(3-(((3-(6-amino-2-butoxy-8-oxo-7,8-dihydro-9H-purin-9-yl)propyl)(3-morpholinopropyl)amino)methyl)phenyl)acetate Formula: C29H43N7O5 (569.3326) Adducts: [M+H-2H2O]+ (Ppm: 2.6) |
Homo sapiens (colorectal adenocarcinoma) |
120TopL, 90TopR, 110BottomL, 100BottomR-centroidResolution: 50μm, 132x136
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