M/Z: 561.1004

Hit 2 annotations: 8-Anilino-5-(4-anilino-5-sulfonaphthalen-1-yl)naphthalene-1-sulfonic acid_[M+H-2H2O]+; (2s,3s)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2r)-8-oxo-2h-[1,3]dioxolo[4,5-h]chromen-2-yl]-2h-[1,4]dioxino[2,3-h]chromen-9-one_[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 2 Reference Ions Near m/z 561.1004

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000017693 Reliable	561.1004	561.1004 ~ 561.1004 MzDiff: `0.3 ppm`	(2s,3s)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2r)-8-oxo-2h-[1,3]dioxolo[4,5-h]chromen-2-yl]-2h-[1,4]dioxino[2,3-h]chromen-9-one (BioDeep_00002065869) Formula: C29H20O12 (560.0955)	1.67 (100%)	Vitis vinifera [PO:0009087] mesocarp
MSI_000054805 Unreliable	561.0942	561.0942 ~ 561.0942 MzDiff: `none`	dTDP-4-oxo-5-C-methyl-L-rhamnose (BioDeep_00000008665) Formula: C17H26N2O15P2 (560.0808)	1.73 (100%)	MALDI - DHB [NOVOCELL:BACKGROUND] blank

Found 5 Sample Hits

Metabolite	Species	Sample
8-Anilino-5-(4-anilino-5-sulfonaphthalen-1-yl)naphthalene-1-sulfonic acid Formula: C32H24N2O6S2 (596.1076) Adducts: [M+H-2H2O]+ (Ppm: 10.8)	Homo sapiens (Liver)	20171107_FIT4_DHBpos_p70_s50 Resolution: 50μm, 70x70 Description
(2s,3s)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2r)-8-oxo-2h-[1,3]dioxolo[4,5-h]chromen-2-yl]-2h-[1,4]dioxino[2,3-h]chromen-9-one Formula: C29H20O12 (560.0955) Adducts: [M+H]+ (Ppm: 4.2)	Vitis vinifera (Fruit)	grape_dhb_91_1 Resolution: 50μm, 120x114 Description Grape berries fruit, condition: Ripe
(2s,3s)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2r)-8-oxo-2h-[1,3]dioxolo[4,5-h]chromen-2-yl]-2h-[1,4]dioxino[2,3-h]chromen-9-one Formula: C29H20O12 (560.0955) Adducts: [M+H]+ (Ppm: 4.2)	Vitis vinifera (Fruit)	grape_dhb_164_1 Resolution: 17μm, 136x122 Description Grape berries fruit, condition: Late
(2s,3s)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2r)-8-oxo-2h-[1,3]dioxolo[4,5-h]chromen-2-yl]-2h-[1,4]dioxino[2,3-h]chromen-9-one Formula: C29H20O12 (560.0955) Adducts: [M+H]+ (Ppm: 4.2)	Vitis vinifera (Fruit)	grape_dhb_163_1 Resolution: 17μm, 132x115 Description Grape berries fruit, condition: Late
8-Anilino-5-(4-anilino-5-sulfonaphthalen-1-yl)naphthalene-1-sulfonic acid Formula: C32H24N2O6S2 (596.1076) Adducts: [M+H-2H2O]+ (Ppm: 11.6)	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.