M/Z: 817.5798
Hit 4 annotations: SM(d18:1/6 keto-PGF1alpha)_[M+H]+
; PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))_[M-H2O+NH4]+
; PA(24:1(15Z)/18:1(12Z)-2OH(9,10))_[M+H]+
; PE(P-18:1(11Z)/PGE1)_[M+NH4]+
- 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 11 Reference Ions Near m/z 817.5798
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000055528 Reliable | 817.5815 | 817.5813 ~ 817.5819 MzDiff: 2.3 ppm |
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019276) Formula: C47H80NO8P (817.5621) |
11.02 (75%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000046690 Reliable | 817.5887 | 817.5887 ~ 817.5887 MzDiff: none |
PA(24:1(15Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000191431) Formula: C45H85O10P (816.588) |
3.68 (100%) | Mus musculus [UBERON:0002107] liver |
MSI_000047726 Unreliable | 817.5817 | 817.5817 ~ 817.5817 MzDiff: none |
SM(d18:1/6 keto-PGF1alpha) (BioDeep_00000215513) Formula: C43H81N2O10P (816.5629) |
2.15 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000047733 Unreliable | 817.574 | 817.574 ~ 817.574 MzDiff: none |
PA(21:0/PGF2alpha) (BioDeep_00000190473) Formula: C44H81O11P (816.5516) |
2.15 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000047736 Unreliable | 817.5897 | 817.5897 ~ 817.5897 MzDiff: none |
Not Annotated | 2.14 (0%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000052321 Unreliable | 817.5848 | 817.5848 ~ 817.5848 MzDiff: none |
PA(24:1(15Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000191431) Formula: C45H85O10P (816.588) |
2.19 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000052346 Unreliable | 817.5757 | 817.5757 ~ 817.5757 MzDiff: none |
SM(d18:1/6 keto-PGF1alpha) (BioDeep_00000215513) Formula: C43H81N2O10P (816.5629) |
2.16 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000057885 Unreliable | 817.5798 | 817.5798 ~ 817.5799 MzDiff: 0.5 ppm |
PE(P-18:1(11Z)/PGE1) (BioDeep_00000185563) Formula: C43H78NO10P (799.5363) |
2.65 (50%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000065341 Unreliable | 817.5798 | 817.5798 ~ 817.5798 MzDiff: none |
PA(24:1(15Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000191431) Formula: C45H85O10P (816.588) |
1.24 (100%) | Homo sapiens [UBERON:0001155] colon |
MSI_000026769 Unreliable | 817.5852 | 817.5852 ~ 817.5852 MzDiff: none |
SM(d18:1/6 keto-PGF1alpha) (BioDeep_00000215513) Formula: C43H81N2O10P (816.5629) |
1.79 (100%) | Mus musculus [UBERON:0002048] lung |
MSI_000055952 Unavailable | 817.5824 | 817.5824 ~ 817.5824 MzDiff: none |
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019276) Formula: C47H80NO8P (817.5621) |
-0.42 (100%) | Homo sapiens [UBERON:0007779] transudate |
Found 26 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
SM(d18:1/6 keto-PGF1alpha) Formula: C43H81N2O10P (816.5629) Adducts: [M+H]+ (Ppm: 18.1) |
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(d18:1/6 keto-PGF1alpha) Formula: C43H81N2O10P (816.5629) Adducts: [M+H]+ (Ppm: 18.4) |
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. |
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M-H2O+NH4]+ (Ppm: 4.5) |
Homo sapiens (esophagus) |
LNTO22_1_3Resolution: 75μm, 121x68
|
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M-H2O+NH4]+ (Ppm: 2.9) |
Homo sapiens (esophagus) |
LNTO22_1_9Resolution: 75μm, 89x74
|
|
PA(24:1(15Z)/18:1(12Z)-2OH(9,10)) Formula: C45H85O10P (816.588) Adducts: [M+H]+ (Ppm: 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. |
|
SM(d18:1/6 keto-PGF1alpha) Formula: C43H81N2O10P (816.5629) Adducts: [M+H]+ (Ppm: 14.2) |
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(d18:1/6 keto-PGF1alpha) Formula: C43H81N2O10P (816.5629) Adducts: [M+H]+ (Ppm: 8.8) |
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(d18:1/6 keto-PGF1alpha) Formula: C43H81N2O10P (816.5629) Adducts: [M+H]+ (Ppm: 6.8) |
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(24:1(15Z)/18:1(12Z)-2OH(9,10)) Formula: C45H85O10P (816.588) Adducts: [M+H]+ (Ppm: 16.4) |
Homo sapiens (esophagus) |
LNTO29_16_3Resolution: 17μm, 108x107
|
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M-H2O+NH4]+ (Ppm: 4.5) |
Homo sapiens (esophagus) |
LNTO26_7_1Resolution: 17μm, 75x74
|
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M-H2O+NH4]+ (Ppm: 3.7) |
Homo sapiens (esophagus) |
LNTO26_7_2Resolution: 17μm, 135x101
|
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M-H2O+NH4]+ (Ppm: 4.9) |
Homo sapiens (esophagus) |
LNTO26_7_3Resolution: 75μm, 82x88
|
|
PE(P-18:1(11Z)/PGE1) Formula: C43H78NO10P (799.5363) Adducts: [M+NH4]+ (Ppm: 11.8) |
Homo sapiens (esophagus) |
TO31TResolution: 75μm, 56x54
|
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M-H2O+NH4]+ (Ppm: 4.8) |
Homo sapiens (esophagus) |
TO29TResolution: 75μm, 56x48
|
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M-H2O+NH4]+ (Ppm: 6.7) |
Homo sapiens (esophagus) |
TO41TResolution: 75μm, 69x43
|
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M-H2O+NH4]+ (Ppm: 6) |
Homo sapiens (esophagus) |
LNTO30_17_2Resolution: 75μm, 82x54
|
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M-H2O+NH4]+ (Ppm: 3.8) |
Homo sapiens (esophagus) |
LNTO22_1_5Resolution: 75μm, 135x94
|
|
SM(d18:1/6 keto-PGF1alpha) Formula: C43H81N2O10P (816.5629) Adducts: [M+H]+ (Ppm: 14.2) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
|
|
PA(24:1(15Z)/18:1(12Z)-2OH(9,10)) Formula: C45H85O10P (816.588) Adducts: [M+H]+ (Ppm: 17) |
Homo sapiens (esophagus) |
LNTO22_1_8Resolution: 75μm, 69x61
|
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M-H2O+NH4]+ (Ppm: 5) |
Homo sapiens (esophagus) |
LNTO22_2_1Resolution: 75μm, 89x88
|
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M-H2O+NH4]+ (Ppm: 4) |
Homo sapiens (esophagus) |
LNTO22_2_2Resolution: 75μm, 135x94
|
|
PE(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H80NO8P (817.5621) Adducts: [M-H2O+NH4]+ (Ppm: 4.8) |
Homo sapiens (esophagus) |
LNTO26_16_1Resolution: 75μm, 95x88
|
|
PA(24:1(15Z)/18:1(12Z)-2OH(9,10)) Formula: C45H85O10P (816.588) Adducts: [M+H]+ (Ppm: 18.6) |
Homo sapiens (colorectal adenocarcinoma) |
240TopL, 210TopR, 230BottomL, 220BottomR-centroidResolution: 50μm, 142x141
|
|
PA(24:1(15Z)/18:1(12Z)-2OH(9,10)) Formula: C45H85O10P (816.588) Adducts: [M+H]+ (Ppm: 18.1) |
Homo sapiens (colorectal adenocarcinoma) |
200TopL, 170TopR, 190BottomL, 180BottomR-centroidResolution: 50μm, 132x126
|
|
PA(24:1(15Z)/18:1(12Z)-2OH(9,10)) Formula: C45H85O10P (816.588) Adducts: [M+H]+ (Ppm: 18.9) |
Homo sapiens (colorectal adenocarcinoma) |
160TopL,130TopR,150BottomL,140BottomR-centroidResolution: 50μm, 142x136
|
|
PA(24:1(15Z)/18:1(12Z)-2OH(9,10)) Formula: C45H85O10P (816.588) Adducts: [M+H]+ (Ppm: 18.2) |
Homo sapiens (colorectal adenocarcinoma) |
120TopL, 90TopR, 110BottomL, 100BottomR-centroidResolution: 50μm, 132x136
|
|