- 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 3 Reference Ions Near m/z 646.9398
| NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
|---|---|---|---|---|---|
| MSI_000015493 Reliable | 646.9459 | 646.9458 ~ 646.946 MzDiff: 0.6 ppm |
5-[(4-bromo-2,3-dioxobutyl)sulfanyl]-3-[(3r,4r,5r)-4-hydroxy-3-(phosphonooxy)-5-[(phosphonooxy)methyl]oxolan-2-yl]-9h-6λ⁵-imidazo[2,1-f]purin-6-ylium (BioDeep_00002076513) Formula: [C16H19BrN5O12P2S]+ (645.941) |
4.7 (100%) | Vitis vinifera [PO:0009085] exocarp |
| MSI_000021746 Unreliable | 646.9425 | 646.9425 ~ 646.9425 MzDiff: none |
Perfluorotridecanoic acid (BioDeep_00000182267) Formula: C13HF25O2 (663.9577) |
0.68 (100%) | Mus musculus [UBERON:0001499] muscle of arm |
| MSI_000024133 Unreliable | 646.9425 | 646.9425 ~ 646.9425 MzDiff: none |
Perfluorotridecanoic acid (BioDeep_00000182267) Formula: C13HF25O2 (663.9577) |
0.68 (100%) | Mus musculus [UBERON:0004263] upper arm skin |
Found 3 Sample Hits
| Metabolite | Species | Sample | |
|---|---|---|---|
| m/z_646.9363 Formula: - (n/a) Adducts: (Ppm: ) |
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. |
|
| m/z_646.9333 Formula: - (n/a) Adducts: (Ppm: ) |
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. |
|
| Perfluorophenanthrene Formula: C14F24 (623.9617) Adducts: [M+Na]+ (Ppm: 17.2) |
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. |
|
