M/Z: 513.0704

Hit 1 annotations: Dotmp_[M+H-2H2O]+

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 9 Reference Ions Near m/z 513.0704

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000017917 Reliable	513.0617	513.0617 ~ 513.0617 MzDiff: `0.3 ppm`	methyl 2-{3-[3-(3,4-dihydroxyphenyl)-8,10-dihydroxy-6-oxo-2,4-dioxatricyclo[5.4.0.0³,⁵]undeca-1(11),7,9-trien-5-yl]-2,4,6-trihydroxyphenyl}-2-oxoacetate (BioDeep_00002232446) Formula: C24H16O13 (512.0591)	1.05 (100%)	Vitis vinifera [PO:0009087] mesocarp
MSI_000054003 Unreliable	513.0789	513.0788 ~ 513.0789 MzDiff: `0.4 ppm`	7'-(acetyloxy)-8,8'-dihydroxy-6,6'-dimethyl-1,1',4,4'-tetraoxo-[2,2'-binaphthalen]-7-yl acetate (BioDeep_00002239363) Formula: C26H18O10 (490.09)	3.14 (100%)	MALDI - CHCA [NOVOCELL:BACKGROUND] blank
MSI_000054960 Unreliable	513.0796	513.0796 ~ 513.0796 MzDiff: `none`	{2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid (BioDeep_00000023927) Formula: C21H20O13S (512.0625)	1.6 (100%)	MALDI - DHB [NOVOCELL:BACKGROUND] blank
MSI_000010178 Unavailable	513.0794	513.0794 ~ 513.0794 MzDiff: `none`	Dotmp (BioDeep_00000175441) Formula: C12H32N4O12P4 (548.0967)	-0.48 (100%)	Bathymodiolus [UBERON:0009120] gill filament
MSI_000034001 Unreliable	513.0789	513.0789 ~ 513.0789 MzDiff: `none`	7'-(acetyloxy)-8,8'-dihydroxy-6,6'-dimethyl-1,1',4,4'-tetraoxo-[2,2'-binaphthalen]-7-yl acetate (BioDeep_00002239363) Formula: C26H18O10 (490.09)	0.1 (100%)	Posidonia oceanica [PO:0005352] xylem
MSI_000050466 Unreliable	513.0704	513.0704 ~ 513.0704 MzDiff: `none`	Not Annotated	0 (0%)	Mytilus edulis [UBERON:0009120] gill filament
MSI_000050467 Unreliable	513.0787	513.0787 ~ 513.0787 MzDiff: `none`	{2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid (BioDeep_00000023927) Formula: C21H20O13S (512.0625)	0 (100%)	Mytilus edulis [UBERON:0009120] gill filament
MSI_000051465 Unreliable	513.0704	513.0704 ~ 513.0704 MzDiff: `none`	Not Annotated	0 (0%)	Mytilus edulis [UBERON:2001856] gill ray
MSI_000051466 Unreliable	513.0787	513.0787 ~ 513.0787 MzDiff: `none`	{2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid (BioDeep_00000023927) Formula: C21H20O13S (512.0625)	0 (100%)	Mytilus edulis [UBERON:2001856] gill ray

Found 3 Sample Hits

Metabolite Species Sample

Metabolite	Species	Sample
Dotmp Formula: C12H32N4O12P4 (548.0967) Adducts: [M+H-2H2O]+ (Ppm: 9.3)	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.
m/z_513.0738 Formula: - (n/a) Adducts: (Ppm: 0)	Mytilus edulis (mantle)	20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210 Resolution: 10μm, 270x210 Description
m/z_513.0704 Formula: - (n/a) Adducts: (Ppm: 0)	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-2H2O]+ (Ppm: 9.3)

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.

m/z_513.0738

Formula: - (n/a)
Adducts: (Ppm: 0)

Mytilus edulis (mantle)

20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210

Resolution: 10μm, 270x210

Description

m/z_513.0704

Formula: - (n/a)
Adducts: (Ppm: 0)

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