- 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 18 Reference Ions Near m/z 727.548
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000055492 Reliable | 727.5493 | 727.5491 ~ 727.5498 MzDiff: 3.0 ppm |
SM(d17:1/18:2(10E,12Z)+=O(9)) (BioDeep_00000215368) Formula: C40H75N2O7P (726.5312) |
13.22 (65%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000043758 Reliable | 727.5484 | 727.548 ~ 727.549 MzDiff: 4.0 ppm |
1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol (BioDeep_00000025257) Formula: C41H74O10 (726.5282) |
11.39 (43%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000046734 Reliable | 727.5435 | 727.5435 ~ 727.5435 MzDiff: none |
HYDROCHLORIDE SALT (BioDeep_00000179830) Formula: C42H60N2O6 (688.4451) |
3.57 (100%) | Mus musculus [UBERON:0002107] liver |
MSI_000056838 Unreliable | 727.5479 | 727.5478 ~ 727.548 MzDiff: 0.6 ppm |
1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol (BioDeep_00000025257) Formula: C41H74O10 (726.5282) |
2.28 (50%) | Homo sapiens [UBERON:0007779] transudate |
MSI_000043267 Unreliable | 727.5501 | 727.55 ~ 727.5503 MzDiff: 1.2 ppm |
SM(d17:1/18:2(10E,12Z)+=O(9)) (BioDeep_00000215368) Formula: C40H75N2O7P (726.5312) |
2.68 (67%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000043517 Unreliable | 727.5501 | 727.55 ~ 727.5503 MzDiff: 1.2 ppm |
SM(d17:1/18:2(10E,12Z)+=O(9)) (BioDeep_00000215368) Formula: C40H75N2O7P (726.5312) |
2.68 (67%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000047541 Unreliable | 727.5539 | 727.5539 ~ 727.5539 MzDiff: none |
ubiquinone-8 (BioDeep_00000011760) Formula: C49H74O4 (726.5587) |
2.24 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000047622 Unreliable | 727.5474 | 727.5474 ~ 727.5474 MzDiff: none |
SM(d17:1/18:2(10E,12Z)+=O(9)) (BioDeep_00000215368) Formula: C40H75N2O7P (726.5312) |
2.21 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000047763 Unreliable | 727.5408 | 727.5408 ~ 727.5408 MzDiff: none |
PA(13:0/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000187888) Formula: C36H65O10P (688.4315) |
2.13 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000051635 Unreliable | 727.5501 | 727.55 ~ 727.5503 MzDiff: 1.2 ppm |
SM(d17:1/18:2(10E,12Z)+=O(9)) (BioDeep_00000215368) Formula: C40H75N2O7P (726.5312) |
2.68 (67%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000052479 Unreliable | 727.5507 | 727.5507 ~ 727.5507 MzDiff: none |
PA(15:0/24:1(15Z)) (BioDeep_00000107188) Formula: C42H81O8P (744.5669) |
1.95 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000052505 Unreliable | 727.5441 | 727.5441 ~ 727.5441 MzDiff: none |
SM(d17:1/18:2(10E,12Z)+=O(9)) (BioDeep_00000215368) Formula: C40H75N2O7P (726.5312) |
1.89 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000065598 Unreliable | 727.5477 | 727.5476 ~ 727.5478 MzDiff: 1.1 ppm |
1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol (BioDeep_00000025257) Formula: C41H74O10 (726.5282) |
2.4 (100%) | Homo sapiens [UBERON:0001155] colon |
MSI_000045843 Unreliable | 727.55 | 727.55 ~ 727.55 MzDiff: none |
SM(d17:1/18:2(10E,12Z)+=O(9)) (BioDeep_00000215368) Formula: C40H75N2O7P (726.5312) |
1.53 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000048499 Unreliable | 727.55 | 727.55 ~ 727.55 MzDiff: none |
SM(d17:1/18:2(10E,12Z)+=O(9)) (BioDeep_00000215368) Formula: C40H75N2O7P (726.5312) |
1.53 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000049509 Unreliable | 727.55 | 727.55 ~ 727.55 MzDiff: none |
SM(d17:1/18:2(10E,12Z)+=O(9)) (BioDeep_00000215368) Formula: C40H75N2O7P (726.5312) |
1.53 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000049519 Unreliable | 727.55 | 727.55 ~ 727.55 MzDiff: none |
SM(d17:1/18:2(10E,12Z)+=O(9)) (BioDeep_00000215368) Formula: C40H75N2O7P (726.5312) |
1.53 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000056137 Unavailable | 727.5503 | 727.5503 ~ 727.5503 MzDiff: none |
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969) Formula: C41H78NO7P (727.5516) |
-0.56 (100%) | Homo sapiens [UBERON:0007779] transudate |
Found 38 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M]+ (Ppm: 6.6) |
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. |
|
SM(d17:1/18:2(10E,12Z)+=O(9)) Formula: C40H75N2O7P (726.5312) Adducts: [M+H]+ (Ppm: 14.7) |
Homo sapiens (esophagus) |
LNTO22_1_3Resolution: 75μm, 121x68
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M]+ (Ppm: 6.9) |
Homo sapiens (esophagus) |
LNTO22_1_4Resolution: 17μm, 82x80
|
|
SM(d17:1/18:2(10E,12Z)+=O(9)) Formula: C40H75N2O7P (726.5312) Adducts: [M+H]+ (Ppm: 13.6) |
Homo sapiens (esophagus) |
LNTO29_16_2Resolution: 17μm, 95x101
|
|
SM(d17:1/18:2(10E,12Z)+=O(9)) Formula: C40H75N2O7P (726.5312) Adducts: [M+H]+ (Ppm: 12.5) |
Homo sapiens (esophagus) |
TO42TResolution: 17μm, 69x81
|
|
SM(d17:1/18:2(10E,12Z)+=O(9)) Formula: C40H75N2O7P (726.5312) Adducts: [M+H]+ (Ppm: 15.9) |
Homo sapiens (esophagus) |
LNTO22_1_9Resolution: 75μm, 89x74
|
|
HYDROCHLORIDE SALT Formula: C42H60N2O6 (688.4451) Adducts: [M+K]+ (Ppm: 0.9) |
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. |
|
1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol Formula: C41H74O10 (726.5282) Adducts: [M+H]+ (Ppm: 17.1) |
Homo sapiens (esophagus) |
LNTO30_8M_1Resolution: 17μm, 69x54
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M]+ (Ppm: 5.1) |
Homo sapiens (esophagus) |
TO39TResolution: 17μm, 69x81
|
|
SM(d17:1/18:2(10E,12Z)+=O(9)) Formula: C40H75N2O7P (726.5312) Adducts: [M+H]+ (Ppm: 12.3) |
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(d17:1/18:2(10E,12Z)+=O(9)) Formula: C40H75N2O7P (726.5312) Adducts: [M+H]+ (Ppm: 13) |
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(d17:1/18:2(10E,12Z)+=O(9)) Formula: C40H75N2O7P (726.5312) Adducts: [M+H]+ (Ppm: 7.8) |
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). |
|
SM(d17:1/18:2(10E,12Z)+=O(9)) Formula: C40H75N2O7P (726.5312) Adducts: [M+H]+ (Ppm: 10.8) |
Homo sapiens (NA) |
160TopL,130TopR,150BottomL,140BottomR-profileResolution: 17μm, 142x136
|
|
SM(d17:1/18:2(10E,12Z)+=O(9)) Formula: C40H75N2O7P (726.5312) Adducts: [M+H]+ (Ppm: 13.1) |
Homo sapiens (esophagus) |
LNTO29_16_3Resolution: 17μm, 108x107
|
|
PC(14:0/18:3(9Z,12Z,15Z)) Formula: C40H74NO8P (727.5152) Adducts: [M-H2O+NH4]+ (Ppm: 14.9) |
Homo sapiens (esophagus) |
LNTO26_7_1Resolution: 17μm, 75x74
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M]+ (Ppm: 1) |
Homo sapiens (esophagus) |
LNTO26_7_2Resolution: 17μm, 135x101
|
|
SM(d17:1/18:2(10E,12Z)+=O(9)) Formula: C40H75N2O7P (726.5312) Adducts: [M+H]+ (Ppm: 14.5) |
Homo sapiens (esophagus) |
LNTO26_7_3Resolution: 75μm, 82x88
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M]+ (Ppm: 4.1) |
Homo sapiens (esophagus) |
TO31TResolution: 75μm, 56x54
|
|
1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol Formula: C41H74O10 (726.5282) Adducts: [M+H]+ (Ppm: 18.8) |
Homo sapiens (esophagus) |
TO29TResolution: 75μm, 56x48
|
|
1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol Formula: C41H74O10 (726.5282) Adducts: [M+H]+ (Ppm: 17.3) |
Homo sapiens (esophagus) |
TO41TResolution: 75μm, 69x43
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M]+ (Ppm: 4) |
Homo sapiens (esophagus) |
LNTO30_8M_2Resolution: 75μm, 108x68
|
|
1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol Formula: C41H74O10 (726.5282) Adducts: [M+H]+ (Ppm: 17.4) |
Homo sapiens (esophagus) |
LNTO30_8M_3Resolution: 75μm, 69x54
|
|
1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol Formula: C41H74O10 (726.5282) Adducts: [M+H]+ (Ppm: 18.2) |
Homo sapiens (esophagus) |
LNTO30_8M_4Resolution: 75μm, 62x48
|
|
1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol Formula: C41H74O10 (726.5282) Adducts: [M+H]+ (Ppm: 17.8) |
Homo sapiens (esophagus) |
LNTO30_8M_5Resolution: 75μm, 56x54
|
|
1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol Formula: C41H74O10 (726.5282) Adducts: [M+H]+ (Ppm: 17.5) |
Homo sapiens (esophagus) |
LNTO30_17_2Resolution: 75μm, 82x54
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M]+ (Ppm: 1.9) |
Homo sapiens (esophagus) |
LNTO22_1_5Resolution: 75μm, 135x94
|
|
SM(d17:1/18:2(10E,12Z)+=O(9)) Formula: C40H75N2O7P (726.5312) Adducts: [M+H]+ (Ppm: 14.9) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
|
|
SM(d17:1/18:2(10E,12Z)+=O(9)) Formula: C40H75N2O7P (726.5312) Adducts: [M+H]+ (Ppm: 14.7) |
Homo sapiens (esophagus) |
LNTO22_1_8Resolution: 75μm, 69x61
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M]+ (Ppm: 2.6) |
Homo sapiens (esophagus) |
LNTO22_2_1Resolution: 75μm, 89x88
|
|
SM(d17:1/18:2(10E,12Z)+=O(9)) Formula: C40H75N2O7P (726.5312) Adducts: [M+H]+ (Ppm: 15.6) |
Homo sapiens (esophagus) |
LNTO22_2_2Resolution: 75μm, 135x94
|
|
SM(d17:1/18:2(10E,12Z)+=O(9)) Formula: C40H75N2O7P (726.5312) Adducts: [M+H]+ (Ppm: 14.9) |
Homo sapiens (esophagus) |
LNTO26_16_1Resolution: 75μm, 95x88
|
|
PC(14:0/18:3(9Z,12Z,15Z)) Formula: C40H74NO8P (727.5152) Adducts: [M-H2O+NH4]+ (Ppm: 13.1) |
Homo sapiens (esophagus) |
LNTO29_18_2Resolution: 75μm, 62x68
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M]+ (Ppm: 3.6) |
Homo sapiens (esophagus) |
LNTO30_7_1Resolution: 75μm, 69x68
|
|
SM(d17:1/18:2(10E,12Z)+=O(9)) Formula: C40H75N2O7P (726.5312) Adducts: [M+H]+ (Ppm: 13.4) |
Homo sapiens (esophagus) |
LNTO30_7_2Resolution: 75μm, 82x68
|
|
1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol Formula: C41H74O10 (726.5282) Adducts: [M+H]+ (Ppm: 17) |
Homo sapiens (colorectal adenocarcinoma) |
240TopL, 210TopR, 230BottomL, 220BottomR-centroidResolution: 50μm, 142x141
|
|
1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol Formula: C41H74O10 (726.5282) Adducts: [M+H]+ (Ppm: 17.7) |
Homo sapiens (colorectal adenocarcinoma) |
200TopL, 170TopR, 190BottomL, 180BottomR-centroidResolution: 50μm, 132x126
|
|
1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol Formula: C41H74O10 (726.5282) Adducts: [M+H]+ (Ppm: 16.7) |
Homo sapiens (colorectal adenocarcinoma) |
160TopL,130TopR,150BottomL,140BottomR-centroidResolution: 50μm, 142x136
|
|
1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol Formula: C41H74O10 (726.5282) Adducts: [M+H]+ (Ppm: 17.4) |
Homo sapiens (colorectal adenocarcinoma) |
120TopL, 90TopR, 110BottomL, 100BottomR-centroidResolution: 50μm, 132x136
|
|