M/Z: 705.575

Hit 1 annotations: CE(20:4(6Z,8E,10E,14Z)-2OH(5S,12R))_[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 3 Reference Ions Near m/z 705.575

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000008374 Reliable	705.5812	705.5811 ~ 705.5814 MzDiff: `1.5 ppm`	SM(d18:0/16:0) (BioDeep_00000018561) Formula: C39H81N2O6P (704.5832)	5.36 (100%)	Rattus norvegicus [UBERON:0004360] cauda epididymis
MSI_000004243 Unreliable	705.5806	705.5806 ~ 705.5806 MzDiff: `none`	SM(d18:0/16:0) (BioDeep_00000018561) Formula: C39H81N2O6P (704.5832)	0.84 (100%)	Homo sapiens [UBERON:0002107] liver
MSI_000026822 Unreliable	705.5842	705.5842 ~ 705.5842 MzDiff: `none`	SM(d18:0/16:0) (BioDeep_00000018561) Formula: C39H81N2O6P (704.5832)	1.79 (100%)	Mus musculus [UBERON:0002048] lung

Found 3 Sample Hits

Metabolite	Species	Sample
CE(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) Formula: C47H76O4 (704.5743) Adducts: [M+H]+ (Ppm: 1.9)	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.
CE(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) Formula: C47H76O4 (704.5743) Adducts: [M+H]+ (Ppm: 2.1)	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.
CE(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) Formula: C47H76O4 (704.5743) Adducts: [M+H]+ (Ppm: 9.4)	Mus musculus (Lung)	image2 Resolution: 40μm, 550x256 Description Supplementary Figure S6. Ion distribution images for (a) [PC36:4+Na]+ (m/z 804.5514) and (b) [PC38:6+Na]+ (m/z 828.5515) obtained from mouse lung tissue collected 6 h after administration of D9- choline and U13C-DPPC–containing CHF5633. Parts-per-million (ppm) mass errors are indicated in parentheses. (c) Magnification of the boxed region in (a) with selected bronchiolar regions outlined in white boxes. (d) The corresponding H&E-stained tissue section with the same selected bronchiolar regions outlined in black boxes. These data demonstrate the co-localisation of the polyunsaturated lipids PC36:4 and PC38:6 with the bronchiolar regions of the lung. All MSI images were visualised using total ion current normalisation and hotspot removal (high quantile = 99%).

Metabolite

Species

Sample

CE(20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C47H76O4 (704.5743)
Adducts: [M+H]+ (Ppm: 1.9)

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.

CE(20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C47H76O4 (704.5743)
Adducts: [M+H]+ (Ppm: 2.1)

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.

CE(20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C47H76O4 (704.5743)
Adducts: [M+H]+ (Ppm: 9.4)

Mus musculus (Lung)

image2

Resolution: 40μm, 550x256

Description

Supplementary Figure S6. Ion distribution images for (a) [PC36:4+Na]+ (m/z 804.5514) and (b) [PC38:6+Na]+ (m/z 828.5515) obtained from mouse lung tissue collected 6 h after administration of D9- choline and U13C-DPPC–containing CHF5633. Parts-per-million (ppm) mass errors are indicated in parentheses. (c) Magnification of the boxed region in (a) with selected bronchiolar regions outlined in white boxes. (d) The corresponding H&E-stained tissue section with the same selected bronchiolar regions outlined in black boxes. These data demonstrate the co-localisation of the polyunsaturated lipids PC36:4 and PC38:6 with the bronchiolar regions of the lung. All MSI images were visualised using total ion current normalisation and hotspot removal (high quantile = 99%).