M/Z: 663.3994

Hit 2 annotations: [(2R,5S)-5-(Octadecylcarbamoyloxymethyl)oxolan-2-yl]methyl 2-quinolin-1-ium-1-ylethyl phosphate_[M+H]+; PA(10:0/PGF2alpha)_[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 663.3994

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000017574 Unreliable	663.4079	663.4079 ~ 663.4079 MzDiff: `none`	cimicifoetiside A (BioDeep_00000637315) Formula: C37H58O10 (662.403)	2.07 (100%)	Vitis vinifera [PO:0009087] mesocarp
MSI_000056002 Unavailable	663.4094	663.4094 ~ 663.4094 MzDiff: `none`	[(2R,5S)-5-(Octadecylcarbamoyloxymethyl)oxolan-2-yl]methyl 2-quinolin-1-ium-1-ylethyl phosphate (BioDeep_00000183951) Formula: C36H59N2O7P (662.406)	-0.48 (100%)	Homo sapiens [UBERON:0007779] transudate
MSI_000056115 Unavailable	663.3901	663.3901 ~ 663.3901 MzDiff: `none`	PA(10:0/PGF2alpha) (BioDeep_00000187669) Formula: C33H59O11P (662.3795)	-0.55 (100%)	Homo sapiens [UBERON:0007779] transudate

Found 3 Sample Hits

Metabolite	Species	Sample
[(2R,5S)-5-(Octadecylcarbamoyloxymethyl)oxolan-2-yl]methyl 2-quinolin-1-ium-1-ylethyl phosphate Formula: C36H59N2O7P (662.406) Adducts: [M+H]+ (Ppm: 16)	Mus musculus (Lung)	image1 Resolution: 40μm, 187x165 Description Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. 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. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin. Fig 1-3, Fig S1-S3, S5
PA(10:0/PGF2alpha) Formula: C33H59O11P (662.3795) Adducts: [M+H]+ (Ppm: 19.1)	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.
[(2R,5S)-5-(Octadecylcarbamoyloxymethyl)oxolan-2-yl]methyl 2-quinolin-1-ium-1-ylethyl phosphate Formula: C36H59N2O7P (662.406) Adducts: [M+H]+ (Ppm: 15.4)	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

[(2R,5S)-5-(Octadecylcarbamoyloxymethyl)oxolan-2-yl]methyl 2-quinolin-1-ium-1-ylethyl phosphate

Formula: C36H59N2O7P (662.406)
Adducts: [M+H]+ (Ppm: 16)

Mus musculus (Lung)

image1

Resolution: 40μm, 187x165

Description

Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. 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. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin. Fig 1-3, Fig S1-S3, S5

PA(10:0/PGF2alpha)

Formula: C33H59O11P (662.3795)
Adducts: [M+H]+ (Ppm: 19.1)

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.

[(2R,5S)-5-(Octadecylcarbamoyloxymethyl)oxolan-2-yl]methyl 2-quinolin-1-ium-1-ylethyl phosphate

Formula: C36H59N2O7P (662.406)
Adducts: [M+H]+ (Ppm: 15.4)

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%).