M/Z: 728.5587
Hit 4 annotations: PE(P-18:0/18:2(9Z,12Z))_[M+H]+
; DG(11D3/11D5/0:0)_[M]+
; PC(15:0/18:1(9Z))_[M+H-H2O]+
; SM(d17:1/18:1(12Z)-O(9S,10R))_[M]+
- 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 15 Reference Ions Near m/z 728.5587
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000043258 Reliable | 728.5614 | 728.561 ~ 728.5618 MzDiff: 3.1 ppm |
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969) Formula: C41H78NO7P (727.5516) |
16.54 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000057902 Reliable | 728.5604 | 728.56 ~ 728.5606 MzDiff: 2.3 ppm |
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969) Formula: C41H78NO7P (727.5516) |
14.89 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000046843 Reliable | 728.549 | 728.549 ~ 728.549 MzDiff: none |
PC(15:0/18:1(9Z)) (BioDeep_00000019204) Formula: C41H80NO8P (745.5621) |
3.25 (100%) | Mus musculus [UBERON:0002107] liver |
MSI_000057242 Unreliable | 728.5602 | 728.56 ~ 728.5605 MzDiff: 2.0 ppm |
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969) Formula: C41H78NO7P (727.5516) |
1.62 (100%) | Homo sapiens [UBERON:0007779] transudate |
MSI_000043777 Unreliable | 728.5623 | 728.5623 ~ 728.5624 MzDiff: 0.2 ppm |
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969) Formula: C41H78NO7P (727.5516) |
2.63 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000047378 Unreliable | 728.5653 | 728.5653 ~ 728.5653 MzDiff: none |
Cerebroside B (BioDeep_00000021225) Formula: C41H77NO9 (727.5598) |
2.34 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000047647 Unreliable | 728.5521 | 728.5521 ~ 728.5521 MzDiff: none |
PC(18:4(6Z,9Z,12Z,15Z)/P-18:1(11Z)) (BioDeep_00000029523) Formula: C44H78NO7P (763.5516) |
2.2 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000047712 Unreliable | 728.5587 | 728.5587 ~ 728.5587 MzDiff: none |
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969) Formula: C41H78NO7P (727.5516) |
2.16 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000052622 Unreliable | 728.5686 | 728.5686 ~ 728.5686 MzDiff: none |
SM(d18:1/18:1(9Z)) (BioDeep_00000019336) Formula: C41H81N2O6P (728.5832) |
1.12 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000052637 Unreliable | 728.5554 | 728.5554 ~ 728.5554 MzDiff: none |
SM(d17:1/18:1(12Z)-O(9S,10R)) (BioDeep_00000215371) Formula: C40H77N2O7P (728.5468) |
0.97 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000043549 Unreliable | 728.5624 | 728.5624 ~ 728.5624 MzDiff: none |
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969) Formula: C41H78NO7P (727.5516) |
1.47 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000056726 Unreliable | 728.5583 | 728.5582 ~ 728.5584 MzDiff: 1.1 ppm |
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969) Formula: C41H78NO7P (727.5516) |
2.93 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000065282 Unreliable | 728.5598 | 728.5598 ~ 728.5598 MzDiff: none |
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969) Formula: C41H78NO7P (727.5516) |
1.43 (100%) | Homo sapiens [UBERON:0001155] colon |
MSI_000026773 Unreliable | 728.5653 | 728.5653 ~ 728.5653 MzDiff: none |
DG(11D3/11D5/0:0) (BioDeep_00000108725) Formula: C45H76O7 (728.5591) |
1.79 (100%) | Mus musculus [UBERON:0002048] lung |
MSI_000056189 Unavailable | 728.5623 | 728.5623 ~ 728.5623 MzDiff: none |
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969) Formula: C41H78NO7P (727.5516) |
-0.57 (100%) | Homo sapiens [UBERON:0007779] transudate |
Found 40 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 10.5) |
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. |
|
DG(11D3/11D5/0:0) Formula: C45H76O7 (728.5591) Adducts: [M]+ (Ppm: 9.3) |
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. |
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 3.5) |
Homo sapiens (esophagus) |
LNTO22_1_3Resolution: 75μm, 121x68
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 0.9) |
Homo sapiens (esophagus) |
LNTO22_1_4Resolution: 17μm, 82x80
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 2.3) |
Homo sapiens (esophagus) |
LNTO29_16_2Resolution: 17μm, 95x101
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 0.9) |
Homo sapiens (esophagus) |
TO42TResolution: 17μm, 69x81
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 4.9) |
Homo sapiens (esophagus) |
LNTO22_1_9Resolution: 75μm, 89x74
|
|
PC(15:0/18:1(9Z)) Formula: C41H80NO8P (745.5621) Adducts: [M+H-H2O]+ (Ppm: 13.5) |
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(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 1.9) |
Homo sapiens (esophagus) |
LNTO30_8M_1Resolution: 17μm, 69x54
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 0.8) |
Homo sapiens (esophagus) |
TO39TResolution: 17μm, 69x81
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 0.2) |
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). |
|
SM(d17:1/18:1(12Z)-O(9S,10R)) Formula: C40H77N2O7P (728.5468) Adducts: [M]+ (Ppm: 13.2) |
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). |
|
SM(d17:1/18:1(12Z)-O(9S,10R)) Formula: C40H77N2O7P (728.5468) Adducts: [M]+ (Ppm: 12.5) |
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(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 1.7) |
Homo sapiens (esophagus) |
LNTO29_16_3Resolution: 17μm, 108x107
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 3.7) |
Homo sapiens (esophagus) |
LNTO26_7_1Resolution: 17μm, 75x74
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 4.8) |
Homo sapiens (esophagus) |
LNTO26_7_2Resolution: 17μm, 135x101
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 3.4) |
Homo sapiens (esophagus) |
LNTO26_7_3Resolution: 75μm, 82x88
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 0.6) |
Homo sapiens (esophagus) |
TO40TResolution: 17μm, 82x74
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 1.9) |
Homo sapiens (esophagus) |
TO31TResolution: 75μm, 56x54
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 3.5) |
Homo sapiens (esophagus) |
TO29TResolution: 75μm, 56x48
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 2) |
Homo sapiens (esophagus) |
TO41TResolution: 75μm, 69x43
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 2.1) |
Homo sapiens (esophagus) |
LNTO30_8M_2Resolution: 75μm, 108x68
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 2) |
Homo sapiens (esophagus) |
LNTO30_8M_3Resolution: 75μm, 69x54
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 3) |
Homo sapiens (esophagus) |
LNTO30_8M_4Resolution: 75μm, 62x48
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 2.4) |
Homo sapiens (esophagus) |
LNTO30_8M_5Resolution: 75μm, 56x54
|
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PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 2.3) |
Homo sapiens (esophagus) |
LNTO30_17_2Resolution: 75μm, 82x54
|
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PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 4.1) |
Homo sapiens (esophagus) |
LNTO22_1_5Resolution: 75μm, 135x94
|
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PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 3.8) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 3.4) |
Homo sapiens (esophagus) |
LNTO22_1_8Resolution: 75μm, 69x61
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 3.2) |
Homo sapiens (esophagus) |
LNTO22_2_1Resolution: 75μm, 89x88
|
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PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 4.1) |
Homo sapiens (esophagus) |
LNTO22_2_2Resolution: 75μm, 135x94
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 3.5) |
Homo sapiens (esophagus) |
LNTO26_16_1Resolution: 75μm, 95x88
|
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PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 1.6) |
Homo sapiens (esophagus) |
LNTO29_18_2Resolution: 75μm, 62x68
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 2.3) |
Homo sapiens (esophagus) |
LNTO30_7_1Resolution: 75μm, 69x68
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 2.3) |
Homo sapiens (esophagus) |
LNTO30_7_2Resolution: 75μm, 82x68
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 1.6) |
Homo sapiens (colorectal adenocarcinoma) |
240TopL, 210TopR, 230BottomL, 220BottomR-centroidResolution: 50μm, 142x141
|
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PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 2.4) |
Homo sapiens (colorectal adenocarcinoma) |
200TopL, 170TopR, 190BottomL, 180BottomR-centroidResolution: 50μm, 132x126
|
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PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 1.3) |
Homo sapiens (colorectal adenocarcinoma) |
160TopL,130TopR,150BottomL,140BottomR-centroidResolution: 50μm, 142x136
|
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PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 2) |
Homo sapiens (colorectal adenocarcinoma) |
120TopL, 90TopR, 110BottomL, 100BottomR-centroidResolution: 50μm, 132x136
|
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PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 0.1) |
Drosophila melanogaster (brain) |
Drosophila18Resolution: 5μm, 686x685
Sample information
Organism: Drosophila melanogaster
Organism part: Brain
Condition: Healthy
Sample preparation
Sample stabilisation: Frozen
Tissue modification: Frozen
MALDI matrix: 2,5-dihydroxybenzoic acid (DHB)
MALDI matrix application: TM sprayer
Solvent: Aceton/water
MS analysis
Polarity: Positive
Ionisation source: Prototype
Analyzer: Orbitrap
Pixel size: 5μm × 5μm
Annotation settings
m/z tolerance (ppm): 3
Analysis version: Original MSM
Pixel count: 469910
Imzml file size: 696.23 MB
Ibd file size: 814.11 MB |
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