- 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 5 Reference Ions Near m/z 441.2538
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000052664 Reliable | 441.2528 | 441.2524 ~ 441.253 MzDiff: 2.2 ppm |
[6]-Gingerdiol 5-O-beta-D-glucopyranoside (BioDeep_00000022410) Formula: C23H38O9 (458.2516) |
13.13 (67%) | DESI [NOVOCELL:BACKGROUND] blank |
MSI_000046459 Reliable | 441.2612 | 441.2612 ~ 441.2612 MzDiff: none |
Motolimod (BioDeep_00000181105) Formula: C28H34N4O2 (458.2682) |
4.57 (100%) | Mus musculus [UBERON:0002107] liver |
MSI_000053226 Unreliable | 441.261 | 441.261 ~ 441.261 MzDiff: none |
Motolimod (BioDeep_00000181105) Formula: C28H34N4O2 (458.2682) |
2.81 (100%) | DESI [NOVOCELL:BACKGROUND] blank |
MSI_000053371 Unreliable | 441.2451 | 441.2451 ~ 441.2451 MzDiff: none |
Tirofiban (BioDeep_00000006640) Formula: C22H36N2O5S (440.2345) |
2.62 (100%) | DESI [NOVOCELL:BACKGROUND] blank |
MSI_000055828 Unavailable | 441.2545 | 441.2545 ~ 441.2545 MzDiff: none |
Cerivastatin lactone (BioDeep_00000177167) Formula: C26H32FNO4 (441.2315) |
-0.03 (100%) | Homo sapiens [UBERON:0007779] transudate |
Found 36 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
Motolimod Formula: C28H34N4O2 (458.2682) Adducts: [M+H-H2O]+ (Ppm: 10.8) |
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. |
|
Motolimod Formula: C28H34N4O2 (458.2682) Adducts: [M+H-H2O]+ (Ppm: 10.4) |
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. |
|
Cerivastatin lactone Formula: C26H32FNO4 (441.2315) Adducts: [M-H2O+NH4]+ (Ppm: 2.9) |
Homo sapiens (esophagus) |
LNTO22_1_3Resolution: 75μm, 121x68
|
|
Astemizole Formula: C28H31FN4O (458.2482) Adducts: [M+H-H2O]+ (Ppm: 14.1) |
Homo sapiens (esophagus) |
LNTO22_1_4Resolution: 17μm, 82x80
|
|
Astemizole Formula: C28H31FN4O (458.2482) Adducts: [M+H-H2O]+ (Ppm: 18.6) |
Homo sapiens (esophagus) |
LNTO29_16_2Resolution: 17μm, 95x101
|
|
[6]-Gingerdiol 5-O-beta-D-glucopyranoside Formula: C23H38O9 (458.2516) Adducts: [M+H-H2O]+ (Ppm: 9.6) |
Homo sapiens (esophagus) |
TO42TResolution: 17μm, 69x81
|
|
[6]-Gingerdiol 5-O-beta-D-glucopyranoside Formula: C23H38O9 (458.2516) Adducts: [M+H-H2O]+ (Ppm: 12.7) |
Homo sapiens (esophagus) |
LNTO22_1_9Resolution: 75μm, 89x74
|
|
Motolimod Formula: C28H34N4O2 (458.2682) Adducts: [M+H-H2O]+ (Ppm: 8.3) |
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. |
|
Astemizole Formula: C28H31FN4O (458.2482) Adducts: [M+H-H2O]+ (Ppm: 18.6) |
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). |
|
Astemizole Formula: C28H31FN4O (458.2482) Adducts: [M+H-H2O]+ (Ppm: 15) |
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). |
|
Astemizole Formula: C28H31FN4O (458.2482) Adducts: [M+H-H2O]+ (Ppm: 17.5) |
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). |
|
3-N-(2-Fluoroethyl)spiperone Formula: C25H29F2N3O2 (441.2228) Adducts: [M-H2O+NH4]+ (Ppm: 18.3) |
Homo sapiens (NA) |
160TopL,130TopR,150BottomL,140BottomR-profileResolution: 17μm, 142x136
|
|
Astemizole Formula: C28H31FN4O (458.2482) Adducts: [M+H-H2O]+ (Ppm: 18.2) |
Homo sapiens (esophagus) |
LNTO29_16_3Resolution: 17μm, 108x107
|
|
Cerivastatin lactone Formula: C26H32FNO4 (441.2315) Adducts: [M-H2O+NH4]+ (Ppm: 3.1) |
Homo sapiens (esophagus) |
LNTO26_7_1Resolution: 17μm, 75x74
|
|
Cerivastatin lactone Formula: C26H32FNO4 (441.2315) Adducts: [M-H2O+NH4]+ (Ppm: 0.6) |
Homo sapiens (esophagus) |
LNTO26_7_2Resolution: 17μm, 135x101
|
|
Cerivastatin lactone Formula: C26H32FNO4 (441.2315) Adducts: [M-H2O+NH4]+ (Ppm: 3.1) |
Homo sapiens (esophagus) |
LNTO26_7_3Resolution: 75μm, 82x88
|
|
[6]-Gingerdiol 5-O-beta-D-glucopyranoside Formula: C23H38O9 (458.2516) Adducts: [M+H-H2O]+ (Ppm: 8) |
Homo sapiens (esophagus) |
TO40TResolution: 17μm, 82x74
|
|
[6]-Gingerdiol 5-O-beta-D-glucopyranoside Formula: C23H38O9 (458.2516) Adducts: [M+H-H2O]+ (Ppm: 10.2) |
Homo sapiens (esophagus) |
TO31TResolution: 75μm, 56x54
|
|
Astemizole Formula: C28H31FN4O (458.2482) Adducts: [M+H-H2O]+ (Ppm: 19.5) |
Homo sapiens (esophagus) |
TO29TResolution: 75μm, 56x48
|
|
[6]-Gingerdiol 5-O-beta-D-glucopyranoside Formula: C23H38O9 (458.2516) Adducts: [M+H-H2O]+ (Ppm: 10.7) |
Homo sapiens (esophagus) |
LNTO30_8M_2Resolution: 75μm, 108x68
|
|
[6]-Gingerdiol 5-O-beta-D-glucopyranoside Formula: C23H38O9 (458.2516) Adducts: [M+H-H2O]+ (Ppm: 10.7) |
Homo sapiens (esophagus) |
LNTO30_8M_3Resolution: 75μm, 69x54
|
|
Cerivastatin lactone Formula: C26H32FNO4 (441.2315) Adducts: [M-H2O+NH4]+ (Ppm: 3.1) |
Homo sapiens (esophagus) |
LNTO30_8M_4Resolution: 75μm, 62x48
|
|
Astemizole Formula: C28H31FN4O (458.2482) Adducts: [M+H-H2O]+ (Ppm: 18.8) |
Homo sapiens (esophagus) |
LNTO30_8M_5Resolution: 75μm, 56x54
|
|
[6]-Gingerdiol 5-O-beta-D-glucopyranoside Formula: C23H38O9 (458.2516) Adducts: [M+H-H2O]+ (Ppm: 10.7) |
Homo sapiens (esophagus) |
LNTO30_17_2Resolution: 75μm, 82x54
|
|
3-N-(2-Fluoroethyl)spiperone Formula: C25H29F2N3O2 (441.2228) Adducts: [M-H2O+NH4]+ (Ppm: 17.6) |
Homo sapiens (esophagus) |
LNTO22_1_5Resolution: 75μm, 135x94
|
|
Astemizole Formula: C28H31FN4O (458.2482) Adducts: [M+H-H2O]+ (Ppm: 19.5) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
|
|
[6]-Gingerdiol 5-O-beta-D-glucopyranoside Formula: C23H38O9 (458.2516) Adducts: [M+H-H2O]+ (Ppm: 11.4) |
Homo sapiens (esophagus) |
LNTO22_1_8Resolution: 75μm, 69x61
|
|
Cerivastatin lactone Formula: C26H32FNO4 (441.2315) Adducts: [M-H2O+NH4]+ (Ppm: 2.9) |
Homo sapiens (esophagus) |
LNTO22_2_1Resolution: 75μm, 89x88
|
|
Cerivastatin lactone Formula: C26H32FNO4 (441.2315) Adducts: [M-H2O+NH4]+ (Ppm: 2.9) |
Homo sapiens (esophagus) |
LNTO26_16_1Resolution: 75μm, 95x88
|
|
Astemizole Formula: C28H31FN4O (458.2482) Adducts: [M+H-H2O]+ (Ppm: 17.9) |
Homo sapiens (esophagus) |
LNTO29_18_2Resolution: 75μm, 62x68
|
|
Cerivastatin lactone Formula: C26H32FNO4 (441.2315) Adducts: [M-H2O+NH4]+ (Ppm: 3.4) |
Homo sapiens (esophagus) |
LNTO30_7_1Resolution: 75μm, 69x68
|
|
Astemizole Formula: C28H31FN4O (458.2482) Adducts: [M+H-H2O]+ (Ppm: 18.2) |
Homo sapiens (esophagus) |
LNTO30_7_2Resolution: 75μm, 82x68
|
|
[6]-Gingerdiol 5-O-beta-D-glucopyranoside Formula: C23H38O9 (458.2516) Adducts: [M+H-H2O]+ (Ppm: 9.6) |
Homo sapiens (colorectal adenocarcinoma) |
240TopL, 210TopR, 230BottomL, 220BottomR-centroidResolution: 50μm, 142x141
|
|
[6]-Gingerdiol 5-O-beta-D-glucopyranoside Formula: C23H38O9 (458.2516) Adducts: [M+H-H2O]+ (Ppm: 10.5) |
Homo sapiens (colorectal adenocarcinoma) |
200TopL, 170TopR, 190BottomL, 180BottomR-centroidResolution: 50μm, 132x126
|
|
[6]-Gingerdiol 5-O-beta-D-glucopyranoside Formula: C23H38O9 (458.2516) Adducts: [M+H-H2O]+ (Ppm: 9.3) |
Homo sapiens (colorectal adenocarcinoma) |
160TopL,130TopR,150BottomL,140BottomR-centroidResolution: 50μm, 142x136
|
|
[6]-Gingerdiol 5-O-beta-D-glucopyranoside Formula: C23H38O9 (458.2516) Adducts: [M+H-H2O]+ (Ppm: 10.2) |
Homo sapiens (colorectal adenocarcinoma) |
120TopL, 90TopR, 110BottomL, 100BottomR-centroidResolution: 50μm, 132x136
|
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