M/Z: 818.5711
Hit 2 annotations: PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_[M+H]+
; 3-O-Sulfogalactosylceramide (d18:1/20:0)_[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 12 Reference Ions Near m/z 818.5711
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000006690 Reliable | 818.5689 | 818.5687 ~ 818.569 MzDiff: 1.0 ppm |
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019276) Formula: C47H80NO8P (817.5621) |
8.33 (100%) | Rattus norvegicus [UBERON:0004358] caput epididymis |
MSI_000043863 Reliable | 818.5735 | 818.5731 ~ 818.5738 MzDiff: 2.7 ppm |
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019276) Formula: C47H80NO8P (817.5621) |
7.09 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000065122 Reliable | 818.5717 | 818.5712 ~ 818.572 MzDiff: 3.3 ppm |
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019276) Formula: C47H80NO8P (817.5621) |
6.08 (100%) | Homo sapiens [UBERON:0001155] colon |
MSI_000047639 Unreliable | 818.5739 | 818.5739 ~ 818.5739 MzDiff: none |
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019276) Formula: C47H80NO8P (817.5621) |
2.2 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000047671 Unreliable | 818.5667 | 818.5667 ~ 818.5667 MzDiff: none |
Not Annotated | 2.18 (0%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000051958 Unreliable | 818.5633 | 818.5633 ~ 818.5633 MzDiff: none |
Not Annotated | 2.37 (0%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000051964 Unreliable | 818.5723 | 818.5723 ~ 818.5723 MzDiff: none |
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019276) Formula: C47H80NO8P (817.5621) |
2.37 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000056788 Unreliable | 818.5711 | 818.5711 ~ 818.5712 MzDiff: 0.5 ppm |
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019276) Formula: C47H80NO8P (817.5621) |
4.31 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000026295 Unreliable | 818.5631 | 818.5631 ~ 818.5631 MzDiff: 0.0 ppm |
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019276) Formula: C47H80NO8P (817.5621) |
3.54 (100%) | Mus musculus [UBERON:0002048] lung |
MSI_000030122 Unreliable | 818.5752 | 818.5752 ~ 818.5752 MzDiff: none |
PS(18:0/20:1(11Z)) (BioDeep_00000019315) Formula: C44H84NO10P (817.5833) |
2.27 (100%) | Macropus giganteus [UBERON:0003027] cingulate cortex |
MSI_000030200 Unreliable | 818.5664 | 818.5664 ~ 818.5664 MzDiff: none |
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019276) Formula: C47H80NO8P (817.5621) |
2.11 (100%) | Macropus giganteus [UBERON:0003027] cingulate cortex |
MSI_000031935 Unavailable | 818.5752 | 818.5752 ~ 818.5752 MzDiff: none |
PS(18:0/20:1(11Z)) (BioDeep_00000019315) Formula: C44H84NO10P (817.5833) |
-0.29 (100%) | Macropus giganteus [UBERON:0006093] precuneus cortex |
Found 32 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 2.9) |
Homo sapiens (Liver) |
20171107_FIT4_DHBpos_p70_s50Resolution: 50μm, 70x70
Description |
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 0.1) |
Rattus norvegicus (Epididymis) |
epik_dhb_head_ito08_44Resolution: 17μm, 299x111
Description |
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 0.5) |
Rattus norvegicus (Epididymis) |
epik_dhb_head_ito08_48Resolution: 17μm, 294x107
Description |
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 0.5) |
Mus musculus (Lung) |
image1Resolution: 40μm, 187x165
DescriptionFig. 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 |
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 9.4) |
Mus musculus (Lung) |
image3Resolution: 40μm, 146x190
DescriptionFig. 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. |
|
3-O-Sulfogalactosylceramide (d18:1/20:0) Formula: C44H85NO11S (835.5843) Adducts: [M+H-H2O]+ (Ppm: 12.4) |
Mus musculus (Lung) |
image3Resolution: 40μm, 146x190
DescriptionFig. 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. |
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 0.4) |
Mus musculus (Lung) |
image2Resolution: 40μm, 550x256
DescriptionSupplementary Figure S6. Ion distribution images for (a) [PC36:4+Na]+ (m/z 804.5514) and (b) [PC38:6+Na]+ (m/z 828.5515) obtained from mouse lung tissue collected 6 h after administration of D9- choline and U13C-DPPC–containing CHF5633. Parts-per-million (ppm) mass errors are indicated in parentheses. (c) Magnification of the boxed region in (a) with selected bronchiolar regions outlined in white boxes. (d) The corresponding H&E-stained tissue section with the same selected bronchiolar regions outlined in black boxes. These data demonstrate the co-localisation of the polyunsaturated lipids PC36:4 and PC38:6 with the bronchiolar regions of the lung. All MSI images were visualised using total ion current normalisation and hotspot removal (high quantile = 99%). |
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 3.7) |
Macropus giganteus (Brain) |
170321_kangaroobrain-dan3-pos_maxof50.0_med1Resolution: 50μm, 81x50
DescriptionSample information Organism: Macropus giganteus (kangaroo) Organism part: Brain Condition: Wildtype Sample growth conditions: Wild |
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 4.2) |
Homo sapiens (esophagus) |
LNTO22_1_3Resolution: 75μm, 121x68
Description |
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 0.1) |
Homo sapiens (esophagus) |
LNTO22_1_4Resolution: 17μm, 82x80
Description |
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 5.4) |
Homo sapiens (esophagus) |
LNTO22_1_9Resolution: 75μm, 89x74
Description |
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 6.1) |
Mus musculus (Liver) |
Salmonella_final_pos_recalResolution: 17μm, 691x430
DescriptionA 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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PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 5.5) |
Homo sapiens (colorectal adenocarcinoma) |
80TopL, 50TopR, 70BottomL, 60BottomR-profileResolution: 17μm, 137x136
DescriptionThe 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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PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 1.7) |
Mytilus edulis (mantle) |
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210Resolution: 10μm, 270x210
Description |
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 4.4) |
Homo sapiens (colorectal adenocarcinoma) |
520TopL, 490TopR, 510BottomL, 500BottomR-profileResolution: 17μm, 147x131
DescriptionThe 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(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 3.5) |
Homo sapiens (colorectal adenocarcinoma) |
439TopL, 409TopR, 429BottomL, 419BottomR-profileResolution: 17μm, 157x136
DescriptionThe 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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PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 2.2) |
Homo sapiens (esophagus) |
LNTO29_16_3Resolution: 17μm, 108x107
Description |
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 4.8) |
Homo sapiens (esophagus) |
LNTO26_7_1Resolution: 17μm, 75x74
Description |
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 4.8) |
Homo sapiens (esophagus) |
LNTO26_7_3Resolution: 75μm, 82x88
Description |
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 4) |
Homo sapiens (esophagus) |
TO29TResolution: 75μm, 56x48
Description |
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 2.1) |
Homo sapiens (esophagus) |
TO41TResolution: 75μm, 69x43
Description |
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PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 5.4) |
Homo sapiens (esophagus) |
LNTO22_1_5Resolution: 75μm, 135x94
Description |
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 4.6) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
Description |
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 4) |
Homo sapiens (esophagus) |
LNTO22_1_8Resolution: 75μm, 69x61
Description |
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 3.7) |
Homo sapiens (esophagus) |
LNTO22_2_1Resolution: 75μm, 89x88
Description |
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 4.5) |
Homo sapiens (esophagus) |
LNTO22_2_2Resolution: 75μm, 135x94
Description |
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 4.2) |
Homo sapiens (esophagus) |
LNTO26_16_1Resolution: 75μm, 95x88
Description |
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 2.1) |
Homo sapiens (esophagus) |
LNTO29_18_2Resolution: 75μm, 62x68
Description |
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 2.6) |
Homo sapiens (colorectal adenocarcinoma) |
240TopL, 210TopR, 230BottomL, 220BottomR-centroidResolution: 50μm, 142x141
Description |
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 3.2) |
Homo sapiens (colorectal adenocarcinoma) |
200TopL, 170TopR, 190BottomL, 180BottomR-centroidResolution: 50μm, 132x126
Description |
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 2.2) |
Homo sapiens (colorectal adenocarcinoma) |
160TopL,130TopR,150BottomL,140BottomR-centroidResolution: 50μm, 142x136
Description |
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M+H]+ (Ppm: 3.2) |
Homo sapiens (colorectal adenocarcinoma) |
120TopL, 90TopR, 110BottomL, 100BottomR-centroidResolution: 50μm, 132x136
Description |
|