- 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 812.5096
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000055546 Reliable | 812.5103 | 812.5101 ~ 812.5106 MzDiff: 1.8 ppm |
PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000030616) Formula: C47H74NO8P (811.5152) |
5.81 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000046188 Reliable | 812.5153 | 812.5153 ~ 812.5153 MzDiff: none |
PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000030616) Formula: C47H74NO8P (811.5152) |
5.71 (100%) | Mus musculus [UBERON:0002107] liver |
MSI_000006637 | 812.5196 | 812.5195 ~ 812.5198 MzDiff: 1.1 ppm |
PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000030616) Formula: C47H74NO8P (811.5152) |
4.84 (100%) | Rattus norvegicus [UBERON:0004358] caput epididymis |
MSI_000063294 Unreliable | 812.5185 | 812.5185 ~ 812.5185 MzDiff: none |
PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000030616) Formula: C47H74NO8P (811.5152) |
0.6 (100%) | Mus musculus [UBERON:0000956] cerebral cortex |
MSI_000064741 Unreliable | 812.509 | 812.509 ~ 812.509 MzDiff: none |
Not Annotated | 1.58 (0%) | Mus musculus [UBERON:0000956] cerebral cortex |
MSI_000021454 Unreliable | 812.5184 | 812.5184 ~ 812.5184 MzDiff: none |
PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000030616) Formula: C47H74NO8P (811.5152) |
0.91 (100%) | Mus musculus [UBERON:0001499] muscle of arm |
MSI_000056860 Unreliable | 812.5087 | 812.5086 ~ 812.5088 MzDiff: 0.8 ppm |
PE(18:1(11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000186260) Formula: C43H74NO11P (811.4999) |
2.8 (100%) | Homo sapiens [UBERON:0007779] transudate |
MSI_000001249 Unavailable | 812.5131 | 812.5131 ~ 812.5131 MzDiff: none |
PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000030616) Formula: C47H74NO8P (811.5152) |
-0.52 (100%) | Mus musculus [UBERON:0001224] renal pelvis |
MSI_000001776 Unavailable | 812.5131 | 812.5131 ~ 812.5131 MzDiff: none |
PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000030616) Formula: C47H74NO8P (811.5152) |
-0.58 (100%) | Mus musculus [UBERON:0001225] cortex of kidney |
MSI_000002142 Unavailable | 812.5131 | 812.5131 ~ 812.5131 MzDiff: none |
PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000030616) Formula: C47H74NO8P (811.5152) |
-0.49 (100%) | Mus musculus [UBERON:0001293] outer medulla of kidney |
MSI_000029896 Unavailable | 812.5165 | 812.5165 ~ 812.5165 MzDiff: none |
Not Annotated | -0.33 (0%) | Macropus giganteus [UBERON:0002336] corpus callosum |
MSI_000056125 Unavailable | 812.511 | 812.511 ~ 812.511 MzDiff: none |
PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000030616) Formula: C47H74NO8P (811.5152) |
-0.56 (100%) | Homo sapiens [UBERON:0007779] transudate |
MSI_000064957 Unavailable | 812.509 | 812.509 ~ 812.509 MzDiff: none |
Not Annotated | -0.19 (0%) | Mus musculus [UBERON:0001950] neocortex |
Found 25 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H74NO8P (811.5152) Adducts: [M+H]+ (Ppm: 11.5) |
Mus musculus (Kidney) |
FULL_MS_centriod_CHCA_20210819Resolution: 17μm, 638x437
AP-MALDI instrument demo test, mass spectrum scan in centroid mode. |
|
Cyclo(glycylglycylleucylleucylleucylprolylprolylphenylalanyl) Formula: C41H62N8O8 (794.469) Adducts: [M+NH4]+ (Ppm: 11) |
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 |
|
PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H74NO8P (811.5152) Adducts: [M+H]+ (Ppm: 5) |
Mus musculus (Left upper arm) |
357_l_total ion countResolution: 50μm, 97x131
Diseased |
|
PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H74NO8P (811.5152) Adducts: [M+H]+ (Ppm: 10.8) |
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. |
|
m/z_812.5109 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. |
|
Rhizonin A Formula: C42H65N7O9 (811.4844) Adducts: [M+H]+ (Ppm: 17.4) |
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 |
|
PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H74NO8P (811.5152) Adducts: [M+H]+ (Ppm: 15.1) |
Homo sapiens (esophagus) |
LNTO22_1_3Resolution: 75μm, 121x68
|
|
Hebevinoside XII Formula: C43H70O13 (794.4816) Adducts: [M+NH4]+ (Ppm: 3.7) |
Homo sapiens (esophagus) |
LNTO22_1_9Resolution: 75μm, 89x74
|
|
PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H74NO8P (811.5152) Adducts: [M+H]+ (Ppm: 8.8) |
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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PE(18:1(11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) Formula: C43H74NO11P (811.4999) Adducts: [M+H]+ (Ppm: 9.8) |
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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PE(18:1(11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) Formula: C43H74NO11P (811.4999) Adducts: [M+H]+ (Ppm: 10.2) |
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). |
|
PE(18:1(11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) Formula: C43H74NO11P (811.4999) Adducts: [M+H]+ (Ppm: 11.8) |
Homo sapiens (NA) |
160TopL,130TopR,150BottomL,140BottomR-profileResolution: 17μm, 142x136
|
|
PE(18:1(11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) Formula: C43H74NO11P (811.4999) Adducts: [M+H]+ (Ppm: 1.7) |
Homo sapiens (esophagus) |
LNTO29_16_3Resolution: 17μm, 108x107
|
|
PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H74NO8P (811.5152) Adducts: [M+H]+ (Ppm: 15.1) |
Homo sapiens (esophagus) |
LNTO26_7_1Resolution: 17μm, 75x74
|
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PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H74NO8P (811.5152) Adducts: [M+H]+ (Ppm: 14.1) |
Homo sapiens (esophagus) |
LNTO26_7_2Resolution: 17μm, 135x101
|
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PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H74NO8P (811.5152) Adducts: [M+H]+ (Ppm: 15.1) |
Homo sapiens (esophagus) |
LNTO26_7_3Resolution: 75μm, 82x88
|
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PE(18:1(11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) Formula: C43H74NO11P (811.4999) Adducts: [M+H]+ (Ppm: 2.5) |
Homo sapiens (esophagus) |
LNTO30_17_2Resolution: 75μm, 82x54
|
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PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H74NO8P (811.5152) Adducts: [M+H]+ (Ppm: 13.9) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
|
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PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H74NO8P (811.5152) Adducts: [M+H]+ (Ppm: 15.3) |
Homo sapiens (esophagus) |
LNTO22_1_8Resolution: 75μm, 69x61
|
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PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H74NO8P (811.5152) Adducts: [M+H]+ (Ppm: 15.8) |
Homo sapiens (esophagus) |
LNTO22_2_1Resolution: 75μm, 89x88
|
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PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H74NO8P (811.5152) Adducts: [M+H]+ (Ppm: 14.6) |
Homo sapiens (esophagus) |
LNTO22_2_2Resolution: 75μm, 135x94
|
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PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H74NO8P (811.5152) Adducts: [M+H]+ (Ppm: 15.2) |
Homo sapiens (esophagus) |
LNTO26_16_1Resolution: 75μm, 95x88
|
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PE(18:1(11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) Formula: C43H74NO11P (811.4999) Adducts: [M+H]+ (Ppm: 2) |
Homo sapiens (esophagus) |
LNTO29_18_2Resolution: 75μm, 62x68
|
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m/z_812.5125 Formula: - (n/a) Adducts: (Ppm: 0) |
Mus musculus (brain) |
Brain02_Bregma-3-88Resolution: 17μm, 288x282
|
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m/z_812.509 Formula: - (n/a) Adducts: (Ppm: 0) |
Mus musculus (brain) |
Brain02_Bregma-1-46Resolution: 17μm, 294x399
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