M/Z: 543.0889

Hit 5 annotations: [(2s,3r,4s,5s,6s)-2-{[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid_[M+H]+; (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-H2O]+; Latamoxef_[M+Na]+; I-AB-Meca_[M+NH4]+; Isoscutellarein 4-methyl ether 8-(2-sulfatoglucoside)_[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 543.0889

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000015627 Unreliable	543.09	543.09 ~ 543.09 MzDiff: `0.0 ppm`	[(2s,3r,4s,5s,6s)-2-{[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid (BioDeep_00002334145) Formula: C22H22O14S (542.073)	3.85 (60%)	Vitis vinifera [PO:0009085] exocarp
MSI_000055408 Unreliable	543.0911	543.091 ~ 543.0912 MzDiff: `0.6 ppm`	I-AB-Meca (BioDeep_00000179889) Formula: C18H20IN7O4 (525.0621)	1.46 (67%)	MALDI - DHB [NOVOCELL:BACKGROUND] blank

Found 8 Sample Hits

Metabolite	Species	Sample
[(2s,3r,4s,5s,6s)-2-{[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid Formula: C22H22O14S (542.073) Adducts: [M+H]+ (Ppm: 17.9)	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-H2O]+ (Ppm: 4)	Vitis vinifera (Fruit)	grape_dhb_163_1 Resolution: 17μm, 132x115 Description Grape berries fruit, condition: Late
Latamoxef Formula: C20H20N6O9S (520.1012) Adducts: [M+Na]+ (Ppm: 2.9)	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.
Latamoxef Formula: C20H20N6O9S (520.1012) Adducts: [M+Na]+ (Ppm: 3.1)	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.
(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-H2O]+ (Ppm: 3.1)	Posidonia oceanica (root)	MS1_20180404_PO_1200 Resolution: 17μm, 193x208 Description
I-AB-Meca Formula: C18H20IN7O4 (525.0621) Adducts: [M+NH4]+ (Ppm: 8.8)	Mytilus edulis (mantle)	20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210 Resolution: 10μm, 270x210 Description
Isoscutellarein 4-methyl ether 8-(2-sulfatoglucoside) Formula: C22H22O14S (542.073) Adducts: [M+H]+ (Ppm: 19.7)	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
Isoscutellarein 4-methyl ether 8-(2-sulfatoglucoside) Formula: C22H22O14S (542.073) Adducts: [M+H]+ (Ppm: 19.2)	Mytilus edulis (mantle)	20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210 Resolution: 10μm, 275x210 Description