M/Z: 561.9779

Hit 2 annotations: N,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Octadecafluoro-N-(2-hydroxyethyl)octane-1-sulfonamide_[M+H]+; [(1r,2s,4s,5s)-4-[2-Iodo-6-(Methylamino)-9h-Purin-9-Yl]-2-(Phosphonooxy)bicyclo[3.1.0]hex-1-Yl]methyl Dihydrogen Phosphate_[M+H]+

在BioDeep NovoCell知识数据库中，参考离子总共被划分为4个级别。

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 1 Reference Ions Near m/z 561.9779

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000016080 Unreliable	561.9843	561.9843 ~ 561.9844 MzDiff: `0.6 ppm`	Not Annotated	2.58 (0%)	Vitis vinifera [PO:0009085] exocarp

Found 5 Sample Hits

Metabolite	Species	Sample
m/z_561.9747 Formula: - (n/a) Adducts: (Ppm: 0)	Vitis vinifera (Fruit)	grape_dhb_91_1 Resolution: 50μm, 120x114 Description Grape berries fruit, condition: Ripe
N,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Octadecafluoro-N-(2-hydroxyethyl)octane-1-sulfonamide Formula: C10H5F18NO3S (560.9703) Adducts: [M+H]+ (Ppm: 2.2)	Mus musculus (Lung)	image3 Resolution: 40μm, 146x190 Description 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.
m/z_561.9712 Formula: - (n/a) Adducts: (Ppm: 0)	Mus musculus (Lung)	image4 Resolution: 40μm, 162x156 Description 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.
N,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Octadecafluoro-N-(2-hydroxyethyl)octane-1-sulfonamide Formula: C10H5F18NO3S (560.9703) Adducts: [M+H]+ (Ppm: 0.6)	Mus musculus (Lung)	image4 Resolution: 40μm, 162x156 Description 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.
[(1r,2s,4s,5s)-4-[2-Iodo-6-(Methylamino)-9h-Purin-9-Yl]-2-(Phosphonooxy)bicyclo[3.1.0]hex-1-Yl]methyl Dihydrogen Phosphate Formula: C13H18IN5O8P2 (560.9675) Adducts: [M+H]+ (Ppm: 2.3)	Mus musculus (Lung)	image5 Resolution: 40μm, 163x183 Description 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.