M/Z: 531.0898

Hit 3 annotations: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-(2,4,6-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate_[M+H-2H2O]+; 2'-Deoxyinosine triphosphate_[M+K]+; Dotmp_[M+H-H2O]+

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 4 Reference Ions Near m/z 531.0898

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000015542 Reliable	531.0898	531.0898 ~ 531.0898 MzDiff: `0.2 ppm`	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-(2,4,6-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate (BioDeep_00002140771) Formula: C28H22O13 (566.106)	4.33 (71%)	Vitis vinifera [PO:0009085] exocarp
MSI_000055412 Unreliable	531.0888	531.0888 ~ 531.0888 MzDiff: `none`	Dotmp (BioDeep_00000175441) Formula: C12H32N4O12P4 (548.0967)	1.46 (100%)	MALDI - DHB [NOVOCELL:BACKGROUND] blank
MSI_000054858 Unreliable	531.0925	531.0925 ~ 531.0925 MzDiff: `none`	Dotmp (BioDeep_00000175441) Formula: C12H32N4O12P4 (548.0967)	1.68 (100%)	MALDI - DHB [NOVOCELL:BACKGROUND] blank
MSI_000040396 Unavailable	531.0914	531.0914 ~ 531.0914 MzDiff: `none`	2'-Deoxyinosine triphosphate (BioDeep_00000001623) Formula: C10H15N4O13P3 (491.9848)	-0.19 (100%)	Posidonia oceanica [PO:0005417] phloem

Found 10 Sample Hits

Metabolite	Species	Sample
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-(2,4,6-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate Formula: C28H22O13 (566.106) Adducts: [M+H-2H2O]+ (Ppm: 4.5)	Vitis vinifera (Fruit)	grape_dhb_91_1 Resolution: 50μm, 120x114 Description Grape berries fruit, condition: Ripe
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-(2,4,6-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate Formula: C28H22O13 (566.106) Adducts: [M+H-2H2O]+ (Ppm: 4.5)	Vitis vinifera (Fruit)	grape_dhb_164_1 Resolution: 17μm, 136x122 Description Grape berries fruit, condition: Late
2'-Deoxyinosine triphosphate Formula: C10H15N4O13P3 (491.9848) Adducts: [M+K]+ (Ppm: 13.6)	Vitis vinifera (Fruit)	grape_dhb_163_1 Resolution: 17μm, 132x115 Description Grape berries fruit, condition: Late
Dotmp Formula: C12H32N4O12P4 (548.0967) Adducts: [M+H-H2O]+ (Ppm: 8.7)	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.
Dotmp Formula: C12H32N4O12P4 (548.0967) Adducts: [M+H-H2O]+ (Ppm: 8.7)	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.
Dotmp Formula: C12H32N4O12P4 (548.0967) Adducts: [M+H-H2O]+ (Ppm: 7.6)	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.
2'-Deoxyinosine triphosphate Formula: C10H15N4O13P3 (491.9848) Adducts: [M+K]+ (Ppm: 16.6)	Posidonia oceanica (root)	MS1_20180404_PO_1200 Resolution: 17μm, 193x208 Description
Dotmp Formula: C12H32N4O12P4 (548.0967) Adducts: [M+H-H2O]+ (Ppm: 1.7)	Mytilus edulis (mantle)	20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210 Resolution: 10μm, 270x210 Description
Dotmp Formula: C12H32N4O12P4 (548.0967) Adducts: [M+H-H2O]+ (Ppm: 2.7)	Mytilus edulis (gill)	20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210 Resolution: 11μm, 305x210 Description single cell layer `class_4` is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell
Dotmp Formula: C12H32N4O12P4 (548.0967) Adducts: [M+H-H2O]+ (Ppm: 2.5)	Mytilus edulis (mantle)	20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210 Resolution: 10μm, 275x210 Description