M/Z: 646.9458


Hit 3 annotations:  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_[M+H]+; Perfluorotridecanoic acid_[M+H-H2O]+; Perfluorophenanthrene_[M+Na]+


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 3 Reference Ions Near m/z 646.9458
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 5 Sample Hits
Metabolite Species Sample
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

Formula: [C16H19BrN5O12P2S]+ (645.941)
Adducts: [M+H]+ (Ppm: 3.6) 		Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe
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

Formula: [C16H19BrN5O12P2S]+ (645.941)
Adducts: [M+H]+ (Ppm: 3.8) 		Vitis vinifera (Fruit)
grape_dhb_164_1
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late
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

Formula: [C16H19BrN5O12P2S]+ (645.941)
Adducts: [M+H]+ (Ppm: 3.4) 		Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late
Perfluorotridecanoic acid

Formula: C13HF25O2 (663.9577)
Adducts: [M+H-H2O]+ (Ppm: 18.5) 		Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased
Perfluorophenanthrene

Formula: C14F24 (623.9617)
Adducts: [M+Na]+ (Ppm: 17.2) 		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.