M/Z: 789.5542
Hit 3 annotations: SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))_[M+H]+
; SM(d16:1/6 keto-PGF1alpha)_[M+H]+
; PA(22:1(13Z)/18:1(12Z)-2OH(9,10))_[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 789.5542
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000058278 Reliable | 789.5486 | 789.5483 ~ 789.549 MzDiff: 2.7 ppm |
SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215589) Formula: C45H77N2O7P (788.5468) |
17.75 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000043872 Reliable | 789.5503 | 789.55 ~ 789.5506 MzDiff: 2.4 ppm |
SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215589) Formula: C45H77N2O7P (788.5468) |
6.13 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000056992 Reliable | 789.5484 | 789.5481 ~ 789.5487 MzDiff: 2.6 ppm |
SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215589) Formula: C45H77N2O7P (788.5468) |
1.41 (100%) | Homo sapiens [UBERON:0007779] transudate |
MSI_000043310 Unreliable | 789.5505 | 789.5505 ~ 789.5506 MzDiff: 0.6 ppm |
SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215589) Formula: C45H77N2O7P (788.5468) |
2.62 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000043545 Unreliable | 789.5505 | 789.5505 ~ 789.5506 MzDiff: 0.6 ppm |
SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215589) Formula: C45H77N2O7P (788.5468) |
2.62 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000046982 Unreliable | 789.5548 | 789.5548 ~ 789.5548 MzDiff: none |
PA(22:1(13Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000190704) Formula: C43H81O10P (788.5567) |
3.06 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000046987 Unreliable | 789.5474 | 789.5474 ~ 789.5474 MzDiff: none |
SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215589) Formula: C45H77N2O7P (788.5468) |
3.05 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000047072 Unreliable | 789.5623 | 789.5623 ~ 789.5623 MzDiff: none |
SM(d17:1/PGF1alpha) (BioDeep_00000215391) Formula: C42H81N2O9P (788.5679) |
2.87 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000051872 Unreliable | 789.5542 | 789.5542 ~ 789.5542 MzDiff: none |
PA(22:1(13Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000190704) Formula: C43H81O10P (788.5567) |
2.4 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000051895 Unreliable | 789.5468 | 789.5468 ~ 789.5468 MzDiff: none |
SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215589) Formula: C45H77N2O7P (788.5468) |
2.39 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000052302 Unreliable | 789.5617 | 789.5617 ~ 789.5617 MzDiff: none |
SM(d17:1/PGF1alpha) (BioDeep_00000215391) Formula: C42H81N2O9P (788.5679) |
2.21 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000056734 Unreliable | 789.5463 | 789.5462 ~ 789.5464 MzDiff: 1.1 ppm |
SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215589) Formula: C45H77N2O7P (788.5468) |
2.93 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000065226 Unreliable | 789.5479 | 789.5479 ~ 789.5479 MzDiff: none |
SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215589) Formula: C45H77N2O7P (788.5468) |
1.7 (100%) | Homo sapiens [UBERON:0001155] colon |
MSI_000026449 Unreliable | 789.561 | 789.561 ~ 789.561 MzDiff: none |
PA(22:1(13Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000190704) Formula: C43H81O10P (788.5567) |
1.79 (100%) | Mus musculus [UBERON:0002048] lung |
MSI_000026737 Unreliable | 789.5564 | 789.5564 ~ 789.5564 MzDiff: none |
SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215589) Formula: C45H77N2O7P (788.5468) |
1.79 (100%) | Mus musculus [UBERON:0002048] lung |
MSI_000026787 Unreliable | 789.5521 | 789.5521 ~ 789.5521 MzDiff: none |
SM(d16:1/6 keto-PGF1alpha) (BioDeep_00000215262) Formula: C41H77N2O10P (788.5316) |
1.79 (100%) | Mus musculus [UBERON:0002048] lung |
MSI_000055982 Unavailable | 789.5506 | 789.5506 ~ 789.5506 MzDiff: none |
SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215589) Formula: C45H77N2O7P (788.5468) |
-0.46 (100%) | Homo sapiens [UBERON:0007779] transudate |
Found 17 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C45H77N2O7P (788.5468) Adducts: [M+H]+ (Ppm: 2) |
Marker Pen (NA) |
3ul_0.8Mpa_RAW_20241016-PAPER PNMKResolution: 30μm, 315x42
By writing the four English letters “PNMK” on white paper with a marker pen, and then scanning with a DESI ion source to obtain the scanning result. The signal of the chemical substances on the marker pen used appears on the channel with an m/z value of |
|
SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C45H77N2O7P (788.5468) Adducts: [M+H]+ (Ppm: 0.1) |
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 |
|
SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C45H77N2O7P (788.5468) Adducts: [M+H]+ (Ppm: 1.4) |
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. |
|
SM(d16:1/6 keto-PGF1alpha) Formula: C41H77N2O10P (788.5316) Adducts: [M+H]+ (Ppm: 16.8) |
Mus musculus (Lung) |
image4Resolution: 40μm, 162x156
Fig 6c
Fig. 6 MALDI-MSI of U13C-PC16:0/16:0 acyl chain remodeling. A: Averaged MALDI mass spectrum from lung tissue collected from mice euthanized 12 h after administration of D9-choline and U13C-DPPC–containing Poractant alfa surfactant. The ion at m/z 828.6321 is assigned as the [M+Na]+ ion of 13C24-PC16:0_20:4 formed by acyl remodeling of U13C-PC16:0/16:0. The “NL” value refers to the intensity of the base peak in the full range MS1 spectrum. B: MS/MS spectrum of precursor ions at m/z 828.5 ± 0.5 with fragment ions originating from [13C24-PC16:0_20:4+Na]+ annotated. Part-per-million (ppm) mass errors are provided in parentheses. C, D: MALDI-MSI data of [U13C-DPPC+Na]+ (blue), [PC36:4+Na]+ (green) and [13C24-PC16:0_20:4+Na]+ (red) in lung tissue collected from mice (C) 12 h and (D) 18 h after label administration. All images were visualized using total-ion-current normalization and hotspot removal (high quantile = 99%). MS/MS, tandem mass spectrometry; MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC. |
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SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C45H77N2O7P (788.5468) Adducts: [M+H]+ (Ppm: 2.9) |
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. |
|
SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C45H77N2O7P (788.5468) Adducts: [M+H]+ (Ppm: 4.5) |
Homo sapiens (esophagus) |
LNTO22_1_9Resolution: 75μm, 89x74
|
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SM(d16:1/6 keto-PGF1alpha) Formula: C41H77N2O10P (788.5316) Adducts: [M+H]+ (Ppm: 8.1) |
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. |
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PA(22:1(13Z)/18:1(12Z)-2OH(9,10)) Formula: C43H81O10P (788.5567) Adducts: [M+H]+ (Ppm: 7.1) |
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. |
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PA(22:1(13Z)/18:1(12Z)-2OH(9,10)) Formula: C43H81O10P (788.5567) Adducts: [M+H]+ (Ppm: 11.6) |
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). |
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PA(22:1(13Z)/18:1(12Z)-2OH(9,10)) Formula: C43H81O10P (788.5567) Adducts: [M+H]+ (Ppm: 4.9) |
Mytilus edulis (mantle) |
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210Resolution: 10μm, 270x210
|
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PA(22:1(13Z)/18:1(12Z)-2OH(9,10)) Formula: C43H81O10P (788.5567) Adducts: [M+H]+ (Ppm: 11.5) |
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). |
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PA(22:1(13Z)/18:1(12Z)-2OH(9,10)) Formula: C43H81O10P (788.5567) Adducts: [M+H]+ (Ppm: 12.4) |
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). |
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SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C45H77N2O7P (788.5468) Adducts: [M+H]+ (Ppm: 5.4) |
Homo sapiens (esophagus) |
LNTO26_7_1Resolution: 17μm, 75x74
|
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SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C45H77N2O7P (788.5468) Adducts: [M+H]+ (Ppm: 4.4) |
Homo sapiens (esophagus) |
LNTO26_7_2Resolution: 17μm, 135x101
|
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SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C45H77N2O7P (788.5468) Adducts: [M+H]+ (Ppm: 5.4) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
|
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SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C45H77N2O7P (788.5468) Adducts: [M+H]+ (Ppm: 5.4) |
Homo sapiens (esophagus) |
LNTO26_16_1Resolution: 75μm, 95x88
|
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SM(d18:2(4E,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C45H77N2O7P (788.5468) Adducts: [M+H]+ (Ppm: 7.6) |
Homo sapiens (colorectal adenocarcinoma) |
240TopL, 210TopR, 230BottomL, 220BottomR-centroidResolution: 50μm, 142x141
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