M/Z: 836.5539
Hit 4 annotations: PI(16:0/18:1(9Z))_[M-H2O+NH4]+
; Roxithromycin_[M-H2O+NH4]+
; PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))_[M+H-H2O]+
; PA(20:0/6 keto-PGF1alpha)_[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 10 Reference Ions Near m/z 836.5539
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000043087 Reliable | 836.5466 | 836.5461 ~ 836.5469 MzDiff: 3.4 ppm |
Roxithromycin (BioDeep_00000001563) Formula: C41H76N2O15 (836.5245) |
11.16 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000046872 Reliable | 836.5456 | 836.5451 ~ 836.5459 MzDiff: 3.2 ppm |
Roxithromycin (BioDeep_00000001563) Formula: C41H76N2O15 (836.5245) |
6.89 (83%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000065438 Unreliable | 836.5478 | 836.5478 ~ 836.5478 MzDiff: 0.1 ppm |
Roxithromycin (BioDeep_00000001563) Formula: C41H76N2O15 (836.5245) |
3.28 (100%) | Homo sapiens [UBERON:0001155] colon |
MSI_000046971 Unreliable | 836.5486 | 836.5486 ~ 836.5486 MzDiff: none |
PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (BioDeep_00000029774) Formula: C50H80NO8P (853.5621) |
3.08 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000046989 Unreliable | 836.5565 | 836.5565 ~ 836.5565 MzDiff: none |
PI(16:0/18:1(9Z)) (BioDeep_00000004083) Formula: C43H81O13P (836.5415) |
3.05 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000051848 Unreliable | 836.5501 | 836.5501 ~ 836.5501 MzDiff: none |
PA(20:0/6 keto-PGF1alpha) (BioDeep_00000189640) Formula: C43H79O12P (818.5309) |
2.41 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000051870 Unreliable | 836.5583 | 836.5583 ~ 836.5583 MzDiff: none |
Not Annotated | 2.4 (0%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000043510 Unreliable | 836.5513 | 836.5513 ~ 836.5513 MzDiff: none |
PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (BioDeep_00000029774) Formula: C50H80NO8P (853.5621) |
1.54 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000065736 Unreliable | 836.5467 | 836.5467 ~ 836.5467 MzDiff: none |
Roxithromycin (BioDeep_00000001563) Formula: C41H76N2O15 (836.5245) |
1.51 (100%) | Homo sapiens [UBERON:0001155] colon |
MSI_000056140 Unavailable | 836.5474 | 836.5474 ~ 836.5474 MzDiff: none |
Roxithromycin (BioDeep_00000001563) Formula: C41H76N2O15 (836.5245) |
-0.56 (100%) | Homo sapiens [UBERON:0007779] transudate |
Found 15 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
PI(16:0/18:1(9Z)) Formula: C43H81O13P (836.5415) Adducts: [M-H2O+NH4]+ (Ppm: 9.5) |
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. |
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M-H2O+NH4]+ (Ppm: 0.4) |
Homo sapiens (esophagus) |
LNTO29_16_2Resolution: 17μm, 95x101
Description |
|
PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) Formula: C50H80NO8P (853.5621) Adducts: [M+H-H2O]+ (Ppm: 9) |
Homo sapiens (esophagus) |
LNTO22_1_9Resolution: 75μm, 89x74
Description |
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M-H2O+NH4]+ (Ppm: 0.1) |
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. |
|
PI(16:0/18:1(9Z)) Formula: C43H81O13P (836.5415) Adducts: [M-H2O+NH4]+ (Ppm: 9.8) |
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). |
|
m/z_836.556 Formula: - (n/a) Adducts: (Ppm: 0) |
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). |
|
PA(20:0/6 keto-PGF1alpha) Formula: C43H79O12P (818.5309) Adducts: [M+NH4]+ (Ppm: 17.5) |
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). |
|
PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) Formula: C50H80NO8P (853.5621) Adducts: [M+H-H2O]+ (Ppm: 10.4) |
Homo sapiens (NA) |
160TopL,130TopR,150BottomL,140BottomR-profileResolution: 17μm, 142x136
Description |
|
PI(16:0/18:1(9Z)) Formula: C43H81O13P (836.5415) Adducts: [M-H2O+NH4]+ (Ppm: 8) |
Homo sapiens (NA) |
160TopL,130TopR,150BottomL,140BottomR-profileResolution: 17μm, 142x136
Description |
|
PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) Formula: C50H80NO8P (853.5621) Adducts: [M+H-H2O]+ (Ppm: 11.9) |
Homo sapiens (esophagus) |
TO29TResolution: 75μm, 56x48
Description |
|
PI(16:0/18:1(9Z)) Formula: C43H81O13P (836.5415) Adducts: [M-H2O+NH4]+ (Ppm: 12.9) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
Description |
|
PC(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) Formula: C50H80NO8P (853.5621) Adducts: [M+H-H2O]+ (Ppm: 11.8) |
Homo sapiens (esophagus) |
LNTO22_2_1Resolution: 75μm, 89x88
Description |
|
PI(16:0/18:1(9Z)) Formula: C43H81O13P (836.5415) Adducts: [M-H2O+NH4]+ (Ppm: 13.3) |
Homo sapiens (esophagus) |
LNTO22_2_2Resolution: 75μm, 135x94
Description |
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M-H2O+NH4]+ (Ppm: 0.4) |
Homo sapiens (colorectal adenocarcinoma) |
240TopL, 210TopR, 230BottomL, 220BottomR-centroidResolution: 50μm, 142x141
Description |
|
Roxithromycin Formula: C41H76N2O15 (836.5245) Adducts: [M-H2O+NH4]+ (Ppm: 0) |
Homo sapiens (colorectal adenocarcinoma) |
120TopL, 90TopR, 110BottomL, 100BottomR-centroidResolution: 50μm, 132x136
Description |
|