M/Z: 519.0445

Hit 2 annotations: UDP-D-Xylose_[M+H-H2O]+; Drinabant_[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 519.0445

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000055355 Unreliable	519.0528	519.0528 ~ 519.0528 MzDiff: `none`	Drinabant (BioDeep_00000178549) Formula: C23H20Cl2F2N2O2S (496.0591)	1.46 (100%)	MALDI - DHB [NOVOCELL:BACKGROUND] blank
MSI_000016159 Unreliable	519.0535	519.0535 ~ 519.0535 MzDiff: `none`	swertiabisxanthone-I (BioDeep_00000293313) Formula: C26H14O12 (518.0485)	2.33 (100%)	Vitis vinifera [PO:0009085] exocarp
MSI_000024886 Unreliable	519.0445	519.0445 ~ 519.0445 MzDiff: `none`	UDP-D-Xylose (BioDeep_00000018667) Formula: C14H22N2O16P2 (536.0445)	1.76 (100%)	Mus musculus [UBERON:0004269] upper arm connective tissue

Found 3 Sample Hits

Metabolite	Species	Sample
UDP-D-Xylose Formula: C14H22N2O16P2 (536.0445) Adducts: [M+H-H2O]+ (Ppm: 6.4)	Mus musculus (Left upper arm)	357_l_total ion count Resolution: 50μm, 97x131 Description Diseased
Drinabant Formula: C23H20Cl2F2N2O2S (496.0591) Adducts: [M+Na]+ (Ppm: 7.8)	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.
Drinabant Formula: C23H20Cl2F2N2O2S (496.0591) Adducts: [M+Na]+ (Ppm: 8.9)	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.

Metabolite

Species

Sample

UDP-D-Xylose

Formula: C14H22N2O16P2 (536.0445)
Adducts: [M+H-H2O]+ (Ppm: 6.4)

Mus musculus (Left upper arm)

357_l_total ion count

Resolution: 50μm, 97x131

Description

Diseased

Drinabant

Formula: C23H20Cl2F2N2O2S (496.0591)
Adducts: [M+Na]+ (Ppm: 7.8)

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.

Drinabant

Formula: C23H20Cl2F2N2O2S (496.0591)
Adducts: [M+Na]+ (Ppm: 8.9)

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.