M/Z: 819.518
Hit 4 annotations: PE(18:2(9Z,12Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))_[M-H2O+NH4]+
; Digoxin_[M+K]+
; Roxithromycin_[M+H-H2O]+
; Roxithromycin_[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 13 Reference Ions Near m/z 819.518
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000043692 Reliable | 819.5205 | 819.5203 ~ 819.5209 MzDiff: 2.4 ppm |
Roxithromycin (BioDeep_00000001563) Formula: C41H76N2O15 (836.5245) |
10.05 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000043179 Reliable | 819.5187 | 819.5181 ~ 819.519 MzDiff: 3.7 ppm |
Roxithromycin (BioDeep_00000001563) Formula: C41H76N2O15 (836.5245) |
11.06 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000047173 Unreliable | 819.5177 | 819.5177 ~ 819.5177 MzDiff: none |
Roxithromycin (BioDeep_00000001563) Formula: C41H76N2O15 (836.5245) |
2.63 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000047175 Unreliable | 819.5257 | 819.5257 ~ 819.5257 MzDiff: none |
PA(20:0/6 keto-PGF1alpha) (BioDeep_00000189640) Formula: C43H79O12P (818.5309) |
2.63 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000047200 Unreliable | 819.51 | 819.51 ~ 819.51 MzDiff: none |
PE(18:2(9Z,12Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000186466) Formula: C45H74NO10P (819.505) |
2.58 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000051779 Unreliable | 819.5123 | 819.5123 ~ 819.5123 MzDiff: none |
PG(16:0/PGE2) (BioDeep_00000193575) Formula: C42H75O13P (818.4945) |
2.46 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000051850 Unreliable | 819.5184 | 819.5184 ~ 819.5184 MzDiff: none |
Roxithromycin (BioDeep_00000001563) Formula: C41H76N2O15 (836.5245) |
2.41 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000065440 Unreliable | 819.5185 | 819.5185 ~ 819.5187 MzDiff: 0.8 ppm |
Roxithromycin (BioDeep_00000001563) Formula: C41H76N2O15 (836.5245) |
2.75 (100%) | Homo sapiens [UBERON:0001155] colon |
MSI_000026802 Unreliable | 819.5094 | 819.5094 ~ 819.5094 MzDiff: 0.2 ppm |
Roxithromycin (BioDeep_00000001563) Formula: C41H76N2O15 (836.5245) |
3.25 (100%) | Mus musculus [UBERON:0002048] lung |
MSI_000056706 Unreliable | 819.5167 | 819.5166 ~ 819.5168 MzDiff: 0.8 ppm |
Roxithromycin (BioDeep_00000001563) Formula: C41H76N2O15 (836.5245) |
2.94 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000049968 Unreliable | 819.5127 | 819.5127 ~ 819.5127 MzDiff: none |
Roxithromycin (BioDeep_00000230939) Formula: C41H76N2O15 (836.5245) |
1.3 (100%) | Mytilus edulis [UBERON:0009120] gill filament |
MSI_000050659 Unreliable | 819.5127 | 819.5127 ~ 819.5127 MzDiff: none |
Roxithromycin (BioDeep_00000230939) Formula: C41H76N2O15 (836.5245) |
1.44 (100%) | Mytilus edulis [UBERON:2001856] gill ray |
MSI_000056203 Unavailable | 819.5211 | 819.5211 ~ 819.5211 MzDiff: none |
Roxithromycin (BioDeep_00000001563) Formula: C41H76N2O15 (836.5245) |
-0.57 (100%) | Homo sapiens [UBERON:0007779] transudate |
Found 40 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
PE(18:2(9Z,12Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) Formula: C45H74NO10P (819.505) Adducts: [M-H2O+NH4]+ (Ppm: 12.5) |
Mus musculus (Lung) |
image1Resolution: 40μm, 187x165
Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. 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. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin.
Fig 1-3, Fig S1-S3, S5 |
|
Digoxin Formula: C41H64O14 (780.4296) Adducts: [M+K]+ (Ppm: 12.5) |
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. |
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 1.5) |
Homo sapiens (esophagus) |
LNTO22_1_3Resolution: 75μm, 121x68
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 5.7) |
Homo sapiens (esophagus) |
LNTO22_1_4Resolution: 17μm, 82x80
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 2.9) |
Homo sapiens (esophagus) |
LNTO29_16_2Resolution: 17μm, 95x101
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 4) |
Homo sapiens (esophagus) |
TO42TResolution: 17μm, 69x81
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 0.4) |
Homo sapiens (esophagus) |
LNTO22_1_9Resolution: 75μm, 89x74
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 9.5) |
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. |
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 3) |
Homo sapiens (esophagus) |
LNTO30_8M_1Resolution: 17μm, 69x54
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 3.8) |
Homo sapiens (esophagus) |
TO39TResolution: 17μm, 69x81
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 4.3) |
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). |
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 9.8) |
Mytilus edulis (mantle) |
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210Resolution: 10μm, 275x210
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 4.9) |
Homo sapiens (colorectal adenocarcinoma) |
520TopL, 490TopR, 510BottomL, 500BottomR-profileResolution: 17μm, 147x131
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). |
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 3.5) |
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). |
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 3.2) |
Homo sapiens (esophagus) |
LNTO29_16_3Resolution: 17μm, 108x107
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 1) |
Homo sapiens (esophagus) |
LNTO26_7_1Resolution: 17μm, 75x74
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 0.2) |
Homo sapiens (esophagus) |
LNTO26_7_2Resolution: 17μm, 135x101
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 0.9) |
Homo sapiens (esophagus) |
LNTO26_7_3Resolution: 75μm, 82x88
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 5.4) |
Homo sapiens (esophagus) |
TO40TResolution: 17μm, 82x74
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 2.6) |
Homo sapiens (esophagus) |
TO31TResolution: 75μm, 56x54
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 1.2) |
Homo sapiens (esophagus) |
TO29TResolution: 75μm, 56x48
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 3.1) |
Homo sapiens (esophagus) |
TO41TResolution: 75μm, 69x43
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 2.8) |
Homo sapiens (esophagus) |
LNTO30_8M_2Resolution: 75μm, 108x68
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 3) |
Homo sapiens (esophagus) |
LNTO30_8M_3Resolution: 75μm, 69x54
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 2.3) |
Homo sapiens (esophagus) |
LNTO30_8M_4Resolution: 75μm, 62x48
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 2.8) |
Homo sapiens (esophagus) |
LNTO30_8M_5Resolution: 75μm, 56x54
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 2.6) |
Homo sapiens (esophagus) |
LNTO30_17_2Resolution: 75μm, 82x54
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 0.8) |
Homo sapiens (esophagus) |
LNTO22_1_5Resolution: 75μm, 135x94
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 1.2) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 1.8) |
Homo sapiens (esophagus) |
LNTO22_1_8Resolution: 75μm, 69x61
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 1.8) |
Homo sapiens (esophagus) |
LNTO22_2_1Resolution: 75μm, 89x88
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 1) |
Homo sapiens (esophagus) |
LNTO22_2_2Resolution: 75μm, 135x94
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 1.2) |
Homo sapiens (esophagus) |
LNTO26_16_1Resolution: 75μm, 95x88
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 3.2) |
Homo sapiens (esophagus) |
LNTO29_18_2Resolution: 75μm, 62x68
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 2.6) |
Homo sapiens (esophagus) |
LNTO30_7_1Resolution: 75μm, 69x68
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 2.8) |
Homo sapiens (esophagus) |
LNTO30_7_2Resolution: 75μm, 82x68
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 3.1) |
Homo sapiens (colorectal adenocarcinoma) |
240TopL, 210TopR, 230BottomL, 220BottomR-centroidResolution: 50μm, 142x141
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 2.4) |
Homo sapiens (colorectal adenocarcinoma) |
200TopL, 170TopR, 190BottomL, 180BottomR-centroidResolution: 50μm, 132x126
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 3.4) |
Homo sapiens (colorectal adenocarcinoma) |
160TopL,130TopR,150BottomL,140BottomR-centroidResolution: 50μm, 142x136
|
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M+H-H2O]+ (Ppm: 2.8) |
Homo sapiens (colorectal adenocarcinoma) |
120TopL, 90TopR, 110BottomL, 100BottomR-centroidResolution: 50μm, 132x136
|
|