M/Z: 856.5521
Hit 3 annotations: PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))_[M+H]+
; PS(20:0/20:3(5Z,8Z,11Z)-O(14R,15S))_[M+H]+
; PC(16:0/PGF1alpha)_[M+Na]+
- 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 20 Reference Ions Near m/z 856.5521
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000056787 Reliable | 856.5484 | 856.5481 ~ 856.549 MzDiff: 3.8 ppm |
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098) Formula: C49H78NO9P (855.5414) |
4.92 (88%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000046576 Reliable | 856.5429 | 856.5429 ~ 856.5429 MzDiff: none |
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098) Formula: C49H78NO9P (855.5414) |
4.05 (100%) | Mus musculus [UBERON:0002107] liver |
MSI_000065335 Unreliable | 856.5476 | 856.5471 ~ 856.5478 MzDiff: 2.8 ppm |
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098) Formula: C49H78NO9P (855.5414) |
3.64 (100%) | Homo sapiens [UBERON:0001155] colon |
MSI_000051843 Unreliable | 856.5471 | 856.5471 ~ 856.5471 MzDiff: none |
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098) Formula: C49H78NO9P (855.5414) |
2.42 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000052034 Unreliable | 856.5564 | 856.5564 ~ 856.5564 MzDiff: none |
PS(20:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000207037) Formula: C46H82NO11P (855.5625) |
2.34 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000001217 Unavailable | 856.5522 | 856.5522 ~ 856.5522 MzDiff: none |
Not Annotated | -0.49 (0%) | Mus musculus [UBERON:0001224] renal pelvis |
MSI_000001375 Unavailable | 856.5589 | 856.5589 ~ 856.5589 MzDiff: none |
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098) Formula: C49H78NO9P (855.5414) |
-0.63 (100%) | Mus musculus [UBERON:0001224] renal pelvis |
MSI_000001378 Unavailable | 856.5468 | 856.5468 ~ 856.5468 MzDiff: none |
PE(20:3(5Z,8Z,11Z)/6 keto-PGF1alpha) (BioDeep_00000187154) Formula: C45H78NO12P (855.5261) |
-0.64 (100%) | Mus musculus [UBERON:0001224] renal pelvis |
MSI_000001616 Unavailable | 856.5522 | 856.5522 ~ 856.5522 MzDiff: none |
Not Annotated | -0.43 (0%) | Mus musculus [UBERON:0001225] cortex of kidney |
MSI_000001833 Unavailable | 856.5589 | 856.5589 ~ 856.5589 MzDiff: none |
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098) Formula: C49H78NO9P (855.5414) |
-0.64 (100%) | Mus musculus [UBERON:0001225] cortex of kidney |
MSI_000001849 Unavailable | 856.5468 | 856.5468 ~ 856.5468 MzDiff: none |
PE(20:3(5Z,8Z,11Z)/6 keto-PGF1alpha) (BioDeep_00000187154) Formula: C45H78NO12P (855.5261) |
-0.66 (100%) | Mus musculus [UBERON:0001225] cortex of kidney |
MSI_000001923 Unreliable | 856.5522 | 856.5522 ~ 856.5522 MzDiff: none |
Not Annotated | 2.44 (0%) | Mus musculus [UBERON:0001293] outer medulla of kidney |
MSI_000001946 Unreliable | 856.5589 | 856.5589 ~ 856.5589 MzDiff: none |
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098) Formula: C49H78NO9P (855.5414) |
0.11 (100%) | Mus musculus [UBERON:0001293] outer medulla of kidney |
MSI_000001952 Unavailable | 856.5468 | 856.5468 ~ 856.5468 MzDiff: none |
PE(20:3(5Z,8Z,11Z)/6 keto-PGF1alpha) (BioDeep_00000187154) Formula: C45H78NO12P (855.5261) |
-0.09 (100%) | Mus musculus [UBERON:0001293] outer medulla of kidney |
MSI_000002715 Unavailable | 856.5462 | 856.5462 ~ 856.5462 MzDiff: none |
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098) Formula: C49H78NO9P (855.5414) |
-0.36 (100%) | Rattus norvegicus [UBERON:0001950] neocortex |
MSI_000003397 Unavailable | 856.5462 | 856.5462 ~ 856.5462 MzDiff: none |
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098) Formula: C49H78NO9P (855.5414) |
-0.37 (100%) | Rattus norvegicus [UBERON:0002037] cerebellum |
MSI_000004711 Unreliable | 856.5462 | 856.5462 ~ 856.5462 MzDiff: none |
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098) Formula: C49H78NO9P (855.5414) |
2.47 (100%) | Rattus norvegicus [UBERON:0002298] brainstem |
MSI_000005652 Unavailable | 856.5462 | 856.5462 ~ 856.5462 MzDiff: none |
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098) Formula: C49H78NO9P (855.5414) |
-0.38 (100%) | Rattus norvegicus [UBERON:0002435] striatum |
MSI_000030699 Unreliable | 856.5448 | 856.5448 ~ 856.5448 MzDiff: none |
Not Annotated | 1.22 (0%) | Macropus giganteus [UBERON:0003027] cingulate cortex |
MSI_000044849 Unavailable | 856.5465 | 856.5465 ~ 856.5465 MzDiff: none |
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098) Formula: C49H78NO9P (855.5414) |
-0.5 (100%) | Rattus norvegicus [UBERON:0002264] olfactory bulb |
Found 22 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
m/z_856.5522 Formula: - (n/a) Adducts: (Ppm: 0) |
Mus musculus (Kidney) |
FULL_MS_centriod_CHCA_20210819Resolution: 17μm, 638x437
AP-MALDI instrument demo test, mass spectrum scan in centroid mode. |
|
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C49H78NO9P (855.5414) Adducts: [M+H]+ (Ppm: 0.7) |
Homo sapiens (esophagus) |
LNTO22_1_3Resolution: 75μm, 121x68
|
|
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C49H78NO9P (855.5414) Adducts: [M+H]+ (Ppm: 6.7) |
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. |
|
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C49H78NO9P (855.5414) Adducts: [M+H]+ (Ppm: 2.6) |
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). |
|
PS(20:0/20:3(5Z,8Z,11Z)-O(14R,15S)) Formula: C46H82NO11P (855.5625) Adducts: [M+H]+ (Ppm: 15.6) |
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). |
|
PS(20:0/20:3(5Z,8Z,11Z)-O(14R,15S)) Formula: C46H82NO11P (855.5625) Adducts: [M+H]+ (Ppm: 15.6) |
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). |
|
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C49H78NO9P (855.5414) Adducts: [M+H]+ (Ppm: 6.8) |
Homo sapiens (NA) |
160TopL,130TopR,150BottomL,140BottomR-profileResolution: 17μm, 142x136
|
|
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C49H78NO9P (855.5414) Adducts: [M+H]+ (Ppm: 1.5) |
Homo sapiens (esophagus) |
LNTO29_16_3Resolution: 17μm, 108x107
|
|
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C49H78NO9P (855.5414) Adducts: [M+H]+ (Ppm: 0.2) |
Homo sapiens (esophagus) |
LNTO26_7_3Resolution: 75μm, 82x88
|
|
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C49H78NO9P (855.5414) Adducts: [M+H]+ (Ppm: 0.7) |
Homo sapiens (esophagus) |
TO29TResolution: 75μm, 56x48
|
|
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C49H78NO9P (855.5414) Adducts: [M+H]+ (Ppm: 0.4) |
Homo sapiens (esophagus) |
LNTO30_8M_5Resolution: 75μm, 56x54
|
|
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C49H78NO9P (855.5414) Adducts: [M+H]+ (Ppm: 0.5) |
Homo sapiens (esophagus) |
LNTO30_17_2Resolution: 75μm, 82x54
|
|
PC(16:0/PGF1alpha) Formula: C44H84NO11P (833.5782) Adducts: [M+Na]+ (Ppm: 17.8) |
Homo sapiens (esophagus) |
LNTO22_1_5Resolution: 75μm, 135x94
|
|
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C49H78NO9P (855.5414) Adducts: [M+H]+ (Ppm: 2.4) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
|
|
m/z_856.5487 Formula: - (n/a) Adducts: (Ppm: 0) |
Homo sapiens (esophagus) |
LNTO22_1_8Resolution: 75μm, 69x61
|
|
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C49H78NO9P (855.5414) Adducts: [M+H]+ (Ppm: 0.2) |
Homo sapiens (esophagus) |
LNTO26_16_1Resolution: 75μm, 95x88
|
|
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C49H78NO9P (855.5414) Adducts: [M+H]+ (Ppm: 0.5) |
Homo sapiens (esophagus) |
LNTO30_7_2Resolution: 75μm, 82x68
|
|
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C49H78NO9P (855.5414) Adducts: [M+H]+ (Ppm: 6.2) |
Mus musculus (brain) |
Brain02_Bregma-3-88Resolution: 17μm, 288x282
|
|
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C49H78NO9P (855.5414) Adducts: [M+H]+ (Ppm: 1.8) |
Homo sapiens (colorectal adenocarcinoma) |
240TopL, 210TopR, 230BottomL, 220BottomR-centroidResolution: 50μm, 142x141
|
|
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C49H78NO9P (855.5414) Adducts: [M+H]+ (Ppm: 1.1) |
Homo sapiens (colorectal adenocarcinoma) |
200TopL, 170TopR, 190BottomL, 180BottomR-centroidResolution: 50μm, 132x126
|
|
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C49H78NO9P (855.5414) Adducts: [M+H]+ (Ppm: 2.1) |
Homo sapiens (colorectal adenocarcinoma) |
160TopL,130TopR,150BottomL,140BottomR-centroidResolution: 50μm, 142x136
|
|
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C49H78NO9P (855.5414) Adducts: [M+H]+ (Ppm: 1) |
Homo sapiens (colorectal adenocarcinoma) |
120TopL, 90TopR, 110BottomL, 100BottomR-centroidResolution: 50μm, 132x136
|
|