M/Z: 727.5279
Hit 3 annotations: PA(16:1(9Z)/22:2(13Z,16Z))_[M+H]+
; 1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol_[M+H]+
; Spirolide F_[M-H2O+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 12 Reference Ions Near m/z 727.5279
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000055543 Reliable | 727.5295 | 727.5294 ~ 727.5297 MzDiff: 1.3 ppm |
PA(16:1(9Z)/22:2(13Z,16Z)) (BioDeep_00000107222) Formula: C41H75O8P (726.5199) |
8.85 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000058179 Reliable | 727.5215 | 727.5211 ~ 727.5219 MzDiff: 3.2 ppm |
PC(14:0/18:3(9Z,12Z,15Z)) (BioDeep_00000019200) Formula: C40H74NO8P (727.5152) |
6.98 (86%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000056689 Reliable | 727.5285 | 727.5282 ~ 727.529 MzDiff: 3.4 ppm |
PA(16:1(9Z)/22:2(13Z,16Z)) (BioDeep_00000107222) Formula: C41H75O8P (726.5199) |
12.84 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000065429 Unreliable | 727.5285 | 727.5282 ~ 727.5286 MzDiff: 1.9 ppm |
PA(16:1(9Z)/22:2(13Z,16Z)) (BioDeep_00000107222) Formula: C41H75O8P (726.5199) |
3.31 (100%) | Homo sapiens [UBERON:0001155] colon |
MSI_000043746 Unreliable | 727.5306 | 727.5303 ~ 727.5309 MzDiff: 2.2 ppm |
PA(16:1(9Z)/22:2(13Z,16Z)) (BioDeep_00000107222) Formula: C41H75O8P (726.5199) |
3.64 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000056799 Unreliable | 727.5204 | 727.5201 ~ 727.5209 MzDiff: 3.6 ppm |
PC(14:0/18:3(9Z,12Z,15Z)) (BioDeep_00000019200) Formula: C40H74NO8P (727.5152) |
4.27 (50%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000047861 Unreliable | 727.5343 | 727.5343 ~ 727.5343 MzDiff: none |
Not Annotated | 2.05 (0%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000051815 Unreliable | 727.5244 | 727.5244 ~ 727.5244 MzDiff: none |
Not Annotated | 2.43 (0%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000051857 Unreliable | 727.531 | 727.531 ~ 727.531 MzDiff: none |
Not Annotated | 2.41 (0%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000052566 Unreliable | 727.5375 | 727.5375 ~ 727.5375 MzDiff: none |
PA(16:1(9Z)/22:2(13Z,16Z)) (BioDeep_00000107222) Formula: C41H75O8P (726.5199) |
1.6 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000027140 Unreliable | 727.5182 | 727.5182 ~ 727.5182 MzDiff: none |
PA(16:1(9Z)/22:2(13Z,16Z)) (BioDeep_00000107222) Formula: C41H75O8P (726.5199) |
1.77 (100%) | Mus musculus [UBERON:0002048] lung |
MSI_000056294 Unavailable | 727.5305 | 727.5305 ~ 727.5305 MzDiff: none |
PA(16:1(9Z)/22:2(13Z,16Z)) (BioDeep_00000107222) Formula: C41H75O8P (726.5199) |
-0.6 (100%) | Homo sapiens [UBERON:0007779] transudate |
Found 32 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 3.3) |
Homo sapiens (esophagus) |
LNTO22_1_3Resolution: 75μm, 121x68
|
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 0.8) |
Homo sapiens (esophagus) |
LNTO22_1_4Resolution: 17μm, 82x80
|
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 5.1) |
Homo sapiens (esophagus) |
LNTO22_1_9Resolution: 75μm, 89x74
|
|
1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol Formula: C41H74O10 (726.5282) Adducts: [M+H]+ (Ppm: 11.7) |
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. |
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 1.8) |
Homo sapiens (esophagus) |
LNTO30_8M_1Resolution: 17μm, 69x54
|
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 1.2) |
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). |
|
Spirolide F Formula: C43H69NO8 (727.5023) Adducts: [M-H2O+NH4]+ (Ppm: 3.9) |
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). |
|
m/z_727.531 Formula: - (n/a) Adducts: (Ppm: 0) |
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(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 0.1) |
Homo sapiens (NA) |
160TopL,130TopR,150BottomL,140BottomR-profileResolution: 17μm, 142x136
|
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 1.5) |
Homo sapiens (esophagus) |
LNTO29_16_3Resolution: 17μm, 108x107
|
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 3.2) |
Homo sapiens (esophagus) |
LNTO26_7_1Resolution: 17μm, 75x74
|
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 4.5) |
Homo sapiens (esophagus) |
LNTO26_7_2Resolution: 17μm, 135x101
|
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 3) |
Homo sapiens (esophagus) |
LNTO26_7_3Resolution: 75μm, 82x88
|
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 1.5) |
Homo sapiens (esophagus) |
TO31TResolution: 75μm, 56x54
|
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 3.3) |
Homo sapiens (esophagus) |
TO29TResolution: 75μm, 56x48
|
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 1.1) |
Homo sapiens (esophagus) |
TO41TResolution: 75μm, 69x43
|
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 1.1) |
Homo sapiens (esophagus) |
LNTO30_8M_2Resolution: 75μm, 108x68
|
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 1.4) |
Homo sapiens (esophagus) |
LNTO30_8M_3Resolution: 75μm, 69x54
|
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 1.5) |
Homo sapiens (esophagus) |
LNTO30_8M_5Resolution: 75μm, 56x54
|
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 1.9) |
Homo sapiens (esophagus) |
LNTO30_17_2Resolution: 75μm, 82x54
|
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 3.4) |
Homo sapiens (esophagus) |
LNTO22_1_5Resolution: 75μm, 135x94
|
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 4.3) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
|
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 2.2) |
Homo sapiens (esophagus) |
LNTO22_1_8Resolution: 75μm, 69x61
|
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 3) |
Homo sapiens (esophagus) |
LNTO22_2_1Resolution: 75μm, 89x88
|
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 3) |
Homo sapiens (esophagus) |
LNTO22_2_2Resolution: 75μm, 135x94
|
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 3.2) |
Homo sapiens (esophagus) |
LNTO26_16_1Resolution: 75μm, 95x88
|
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 1.4) |
Homo sapiens (esophagus) |
LNTO29_18_2Resolution: 75μm, 62x68
|
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 2.5) |
Homo sapiens (esophagus) |
LNTO30_7_1Resolution: 75μm, 69x68
|
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 1.4) |
Homo sapiens (colorectal adenocarcinoma) |
240TopL, 210TopR, 230BottomL, 220BottomR-centroidResolution: 50μm, 142x141
|
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 1.9) |
Homo sapiens (colorectal adenocarcinoma) |
200TopL, 170TopR, 190BottomL, 180BottomR-centroidResolution: 50μm, 132x126
|
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 1) |
Homo sapiens (colorectal adenocarcinoma) |
160TopL,130TopR,150BottomL,140BottomR-centroidResolution: 50μm, 142x136
|
|
PA(16:1(9Z)/22:2(13Z,16Z)) Formula: C41H75O8P (726.5199) Adducts: [M+H]+ (Ppm: 1.9) |
Homo sapiens (colorectal adenocarcinoma) |
120TopL, 90TopR, 110BottomL, 100BottomR-centroidResolution: 50μm, 132x136
|
|