M/Z: 939.6127

Hit 2 annotations: 17-carbamimidamido-3-hydroxy-n-[5,8,11,14,17-pentahydroxy-6-(c-hydroxycarbonimidoylmethyl)-9-(1-hydroxyethyl)-3,19-dimethyl-15-(2-methylpropyl)-2-oxo-12-(sec-butyl)-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-18-yl]heptadecanimidic acid_[M+H]+; PS(22:1(13Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))_[M+NH4]+

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 4 Reference Ions Near m/z 939.6127

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000004247 Unreliable	939.6156	939.6156 ~ 939.6156 MzDiff: `none`	PS(22:1(13Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000208044) Formula: C50H84NO12P (921.5731)	0.84 (100%)	Homo sapiens [UBERON:0002107] liver
MSI_000010099 Unavailable	939.6155	939.6155 ~ 939.6155 MzDiff: `none`	17-carbamimidamido-3-hydroxy-n-[5,8,11,14,17-pentahydroxy-6-(c-hydroxycarbonimidoylmethyl)-9-(1-hydroxyethyl)-3,19-dimethyl-15-(2-methylpropyl)-2-oxo-12-(sec-butyl)-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-18-yl]heptadecanimidic acid (BioDeep_00002073641) Formula: C45H82N10O11 (938.6164)	-0.07 (100%)	Bathymodiolus [UBERON:0009120] gill filament
MSI_000027670 Unreliable	939.6167	939.6167 ~ 939.6167 MzDiff: `none`	PS(22:1(13Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000208044) Formula: C50H84NO12P (921.5731)	2.04 (100%)	Mus musculus [UBERON:0002048] lung
MSI_000044746 Unavailable	939.6176	939.6176 ~ 939.6176 MzDiff: `none`	PG(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000195282) Formula: C50H77O12P (900.5152)	-0.45 (100%)	Rattus norvegicus [UBERON:0002264] olfactory bulb

Found 5 Sample Hits

Metabolite	Species	Sample
17-carbamimidamido-3-hydroxy-n-[5,8,11,14,17-pentahydroxy-6-(c-hydroxycarbonimidoylmethyl)-9-(1-hydroxyethyl)-3,19-dimethyl-15-(2-methylpropyl)-2-oxo-12-(sec-butyl)-1-oxa-4,7,10,13,16-pentaazacyclononadeca-4,7,10,13,16-pentaen-18-yl]heptadecanimidic acid Formula: C45H82N10O11 (938.6164) Adducts: [M+H]+ (Ppm: 8.7)	Bathymodiolus (epithelial host cells)	MPIMM_039_QE_P_BP_CF_Bputeoserpentis_MALDI-FISH8_Sl14_s1_DHB_233x233_3um Resolution: 3μm, 233x234 Description
PS(22:1(13Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) Formula: C50H84NO12P (921.5731) Adducts: [M+NH4]+ (Ppm: 9.2)	Homo sapiens (Liver)	20171107_FIT4_DHBpos_p70_s50 Resolution: 50μm, 70x70 Description
m/z_939.6092 Formula: - (n/a) Adducts: (Ppm: 0)	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
PS(22:1(13Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) Formula: C50H84NO12P (921.5731) Adducts: [M+NH4]+ (Ppm: 6.2)	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.
PS(22:1(13Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) Formula: C50H84NO12P (921.5731) Adducts: [M+NH4]+ (Ppm: 10.4)	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%).