M/Z: 791.5441
Hit 3 annotations: PA(19:0/PGF1alpha)_[M+H]+
; PG(18:0/22:4(7Z,10Z,13Z,16Z))_[M+H-2H2O]+
; SM(d17:2(4E,8Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))_[M+H]+
- 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 17 Reference Ions Near m/z 791.5441
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000006196 Reliable | 791.5387 | 791.5385 ~ 791.539 MzDiff: 1.9 ppm |
PA(19:0/PGF1alpha) (BioDeep_00000189500) Formula: C42H79O11P (790.536) |
12.15 (100%) | Rattus norvegicus [UBERON:0004358] caput epididymis |
MSI_000043654 Reliable | 791.5445 | 791.5441 ~ 791.5449 MzDiff: 3.2 ppm |
PA(19:0/PGF1alpha) (BioDeep_00000189500) Formula: C42H79O11P (790.536) |
11.95 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000043230 Reliable | 791.5426 | 791.5421 ~ 791.543 MzDiff: 3.4 ppm |
PA(19:0/PGF1alpha) (BioDeep_00000189500) Formula: C42H79O11P (790.536) |
6.62 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000047206 Unreliable | 791.5452 | 791.5452 ~ 791.5452 MzDiff: none |
PA(19:0/PGF1alpha) (BioDeep_00000189500) Formula: C42H79O11P (790.536) |
2.57 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000047250 Unreliable | 791.5376 | 791.5376 ~ 791.5376 MzDiff: none |
Oligomycin (BioDeep_00000181948) Formula: C45H74O11 (790.5231) |
2.49 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000047571 Unreliable | 791.5525 | 791.5525 ~ 791.5525 MzDiff: none |
Not Annotated | 2.23 (0%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000051856 Unreliable | 791.5407 | 791.5407 ~ 791.5407 MzDiff: none |
PA(19:0/PGF1alpha) (BioDeep_00000189500) Formula: C42H79O11P (790.536) |
2.41 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000051891 Unreliable | 791.5482 | 791.5482 ~ 791.5482 MzDiff: none |
PG(18:0/22:4(7Z,10Z,13Z,16Z)) (BioDeep_00000031683) Formula: C46H83O10P (826.5724) |
2.39 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000065444 Unreliable | 791.5428 | 791.5428 ~ 791.5429 MzDiff: 0.7 ppm |
PA(19:0/PGF1alpha) (BioDeep_00000189500) Formula: C42H79O11P (790.536) |
2.76 (100%) | Homo sapiens [UBERON:0001155] colon |
MSI_000020615 | 791.5391 | 791.539 ~ 791.5391 MzDiff: 0.3 ppm |
PA(19:0/PGF1alpha) (BioDeep_00000189500) Formula: C42H79O11P (790.536) |
1.81 (100%) | Rattus norvegicus [UBERON:0004359] corpus epididymis |
MSI_000021393 Unreliable | 791.5373 | 791.5373 ~ 791.5373 MzDiff: none |
Oligomycin (BioDeep_00000181948) Formula: C45H74O11 (790.5231) |
0.99 (100%) | Mus musculus [UBERON:0001499] muscle of arm |
MSI_000026670 Unreliable | 791.5373 | 791.5371 ~ 791.5375 MzDiff: 2.0 ppm |
SM(d17:2(4E,8Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000215429) Formula: C44H75N2O8P (790.5261) |
1.85 (100%) | Mus musculus [UBERON:0002048] lung |
MSI_000065770 Unreliable | 791.5517 | 791.5517 ~ 791.5517 MzDiff: none |
PS(18:0/18:0) (BioDeep_00000017592) Formula: C42H82NO10P (791.5676) |
1.2 (100%) | Homo sapiens [UBERON:0001155] colon |
MSI_000027729 Unreliable | 791.5525 | 791.5525 ~ 791.5525 MzDiff: none |
PG(18:0/22:4(7Z,10Z,13Z,16Z)) (BioDeep_00000031683) Formula: C46H83O10P (826.5724) |
2.04 (100%) | Mus musculus [UBERON:0002048] lung |
MSI_000030346 Unreliable | 791.5374 | 791.5374 ~ 791.5374 MzDiff: none |
Oligomycin (BioDeep_00000181948) Formula: C45H74O11 (790.5231) |
1.91 (100%) | Macropus giganteus [UBERON:0003027] cingulate cortex |
MSI_000030588 Unreliable | 791.5462 | 791.5462 ~ 791.5462 MzDiff: none |
PA(19:0/PGF1alpha) (BioDeep_00000189500) Formula: C42H79O11P (790.536) |
1.49 (100%) | Macropus giganteus [UBERON:0003027] cingulate cortex |
MSI_000056242 Unavailable | 791.546 | 791.546 ~ 791.546 MzDiff: none |
PA(19:0/PGF1alpha) (BioDeep_00000189500) Formula: C42H79O11P (790.536) |
-0.58 (100%) | Homo sapiens [UBERON:0007779] transudate |
Found 43 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 6) |
Rattus norvegicus (Epididymis) |
epik_dhb_head_ito08_48Resolution: 17μm, 294x107
|
|
m/z_791.5414 Formula: - (n/a) Adducts: (Ppm: 0) |
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 |
|
m/z_791.5477 Formula: - (n/a) Adducts: (Ppm: 0) |
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 |
|
PG(18:0/22:4(7Z,10Z,13Z,16Z)) Formula: C46H83O10P (826.5724) Adducts: [M+H-2H2O]+ (Ppm: 19.6) |
Mus musculus (Left upper arm) |
357_l_total ion countResolution: 50μm, 97x131
Diseased |
|
m/z_791.5434 Formula: - (n/a) Adducts: (Ppm: 0) |
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. |
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 3.7) |
Macropus giganteus (Brain) |
170321_kangaroobrain-dan3-pos_maxof50.0_med1Resolution: 50μm, 81x50
Sample information
Organism: Macropus giganteus (kangaroo)
Organism part: Brain
Condition: Wildtype
Sample growth conditions: Wild |
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 1.5) |
Homo sapiens (esophagus) |
LNTO22_1_3Resolution: 75μm, 121x68
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 3.2) |
Homo sapiens (esophagus) |
LNTO22_1_4Resolution: 17μm, 82x80
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 0.2) |
Homo sapiens (esophagus) |
LNTO29_16_2Resolution: 17μm, 95x101
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 1.5) |
Homo sapiens (esophagus) |
TO42TResolution: 17μm, 69x81
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 2.6) |
Homo sapiens (esophagus) |
LNTO22_1_9Resolution: 75μm, 89x74
|
|
SM(d17:2(4E,8Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) Formula: C44H75N2O8P (790.5261) Adducts: [M+H]+ (Ppm: 6.1) |
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. |
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 0.1) |
Homo sapiens (esophagus) |
LNTO30_8M_1Resolution: 17μm, 69x54
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 0.8) |
Homo sapiens (esophagus) |
TO39TResolution: 17μm, 69x81
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 2.5) |
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). |
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 2.3) |
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). |
|
PG(18:0/22:4(7Z,10Z,13Z,16Z)) Formula: C46H83O10P (826.5724) Adducts: [M+H-2H2O]+ (Ppm: 13) |
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). |
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 0.2) |
Homo sapiens (NA) |
160TopL,130TopR,150BottomL,140BottomR-profileResolution: 17μm, 142x136
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 0.7) |
Homo sapiens (esophagus) |
LNTO29_16_3Resolution: 17μm, 108x107
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 2.6) |
Homo sapiens (esophagus) |
LNTO26_7_1Resolution: 17μm, 75x74
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 3.5) |
Homo sapiens (esophagus) |
LNTO26_7_2Resolution: 17μm, 135x101
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 2.1) |
Homo sapiens (esophagus) |
LNTO26_7_3Resolution: 75μm, 82x88
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 0.2) |
Homo sapiens (esophagus) |
TO31TResolution: 75μm, 56x54
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 1.1) |
Homo sapiens (esophagus) |
TO29TResolution: 75μm, 56x48
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 0.3) |
Homo sapiens (esophagus) |
TO41TResolution: 75μm, 69x43
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 0.3) |
Homo sapiens (esophagus) |
LNTO30_8M_2Resolution: 75μm, 108x68
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 0.3) |
Homo sapiens (esophagus) |
LNTO30_8M_3Resolution: 75μm, 69x54
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 0.4) |
Homo sapiens (esophagus) |
LNTO30_8M_4Resolution: 75μm, 62x48
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 0.6) |
Homo sapiens (esophagus) |
LNTO30_8M_5Resolution: 75μm, 56x54
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 0.4) |
Homo sapiens (esophagus) |
LNTO30_17_2Resolution: 75μm, 82x54
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 2.1) |
Homo sapiens (esophagus) |
LNTO22_1_5Resolution: 75μm, 135x94
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 1.3) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 1.1) |
Homo sapiens (esophagus) |
LNTO22_1_8Resolution: 75μm, 69x61
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 1.6) |
Homo sapiens (esophagus) |
LNTO22_2_1Resolution: 75μm, 89x88
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 1.8) |
Homo sapiens (esophagus) |
LNTO22_2_2Resolution: 75μm, 135x94
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 2) |
Homo sapiens (esophagus) |
LNTO26_16_1Resolution: 75μm, 95x88
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 0.6) |
Homo sapiens (esophagus) |
LNTO29_18_2Resolution: 75μm, 62x68
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 0.3) |
Homo sapiens (esophagus) |
LNTO30_7_1Resolution: 75μm, 69x68
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 0.1) |
Homo sapiens (esophagus) |
LNTO30_7_2Resolution: 75μm, 82x68
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 0.4) |
Homo sapiens (colorectal adenocarcinoma) |
240TopL, 210TopR, 230BottomL, 220BottomR-centroidResolution: 50μm, 142x141
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 0.3) |
Homo sapiens (colorectal adenocarcinoma) |
200TopL, 170TopR, 190BottomL, 180BottomR-centroidResolution: 50μm, 132x126
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 0.6) |
Homo sapiens (colorectal adenocarcinoma) |
160TopL,130TopR,150BottomL,140BottomR-centroidResolution: 50μm, 142x136
|
|
PA(19:0/PGF1alpha) Formula: C42H79O11P (790.536) Adducts: [M+H]+ (Ppm: 0.1) |
Homo sapiens (colorectal adenocarcinoma) |
120TopL, 90TopR, 110BottomL, 100BottomR-centroidResolution: 50μm, 132x136
|
|