M/Z: 684.0002

Hit 2 annotations: 3-(3-bromo-4-methoxyphenyl)-n-(3-{[2-(2,4-dibromo-5-methoxyphenyl)ethyl](methyl)amino}propyl)-2-(dimethylamino)propanimidic acid_[M+Na]+; Ceftaroline fosamil_[M]+

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 6 Reference Ions Near m/z 684.0002

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000015958 Unreliable	684.0077	684.0077 ~ 684.0078 MzDiff: `0.4 ppm`	3-(3-bromo-4-methoxyphenyl)-n-(3-{[2-(2,4-dibromo-5-methoxyphenyl)ethyl](methyl)amino}propyl)-2-(dimethylamino)propanimidic acid (BioDeep_00002197858) Formula: C25H34Br3N3O3 (661.015)	2.95 (100%)	Vitis vinifera [PO:0009085] exocarp
MSI_000002968 Unavailable	684.0002	684.0002 ~ 684.0002 MzDiff: `none`	3-(3-bromo-4-methoxyphenyl)-n-(3-{[2-(2,4-dibromo-5-methoxyphenyl)ethyl](methyl)amino}propyl)-2-(dimethylamino)propanimidic acid (BioDeep_00002197858) Formula: C25H34Br3N3O3 (661.015)	-0.71 (100%)	Rattus norvegicus [UBERON:0001950] neocortex
MSI_000003563 Unavailable	684.0002	684.0002 ~ 684.0002 MzDiff: `none`	3-(3-bromo-4-methoxyphenyl)-n-(3-{[2-(2,4-dibromo-5-methoxyphenyl)ethyl](methyl)amino}propyl)-2-(dimethylamino)propanimidic acid (BioDeep_00002197858) Formula: C25H34Br3N3O3 (661.015)	-0.61 (100%)	Rattus norvegicus [UBERON:0002037] cerebellum
MSI_000005202 Unavailable	684.0002	684.0002 ~ 684.0002 MzDiff: `none`	3-(3-bromo-4-methoxyphenyl)-n-(3-{[2-(2,4-dibromo-5-methoxyphenyl)ethyl](methyl)amino}propyl)-2-(dimethylamino)propanimidic acid (BioDeep_00002197858) Formula: C25H34Br3N3O3 (661.015)	-0.7 (100%)	Rattus norvegicus [UBERON:0002298] brainstem
MSI_000005559 Unreliable	684.0002	684.0002 ~ 684.0002 MzDiff: `none`	3-(3-bromo-4-methoxyphenyl)-n-(3-{[2-(2,4-dibromo-5-methoxyphenyl)ethyl](methyl)amino}propyl)-2-(dimethylamino)propanimidic acid (BioDeep_00002197858) Formula: C25H34Br3N3O3 (661.015)	0.87 (100%)	Rattus norvegicus [UBERON:0002435] striatum
MSI_000027327 Unreliable	684.0043	684.0043 ~ 684.0043 MzDiff: `none`	Ceftaroline fosamil (BioDeep_00000177127) Formula: C22H21N8O8PS4 (684.0103)	2.03 (100%)	Mus musculus [UBERON:0000913] interstitial fluid

Found 2 Sample Hits

Metabolite	Species	Sample
3-(3-bromo-4-methoxyphenyl)-n-(3-{[2-(2,4-dibromo-5-methoxyphenyl)ethyl](methyl)amino}propyl)-2-(dimethylamino)propanimidic acid Formula: C25H34Br3N3O3 (661.015) Adducts: [M+Na]+ (Ppm: 5.9)	Rattus norvegicus (Brain)	Spectroswiss - sol_2x_br_2 Resolution: 17μm, 488x193 Description
Ceftaroline fosamil Formula: C22H21N8O8PS4 (684.0103) Adducts: [M]+ (Ppm: 7.9)	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

3-(3-bromo-4-methoxyphenyl)-n-(3-{[2-(2,4-dibromo-5-methoxyphenyl)ethyl](methyl)amino}propyl)-2-(dimethylamino)propanimidic acid

Formula: C25H34Br3N3O3 (661.015)
Adducts: [M+Na]+ (Ppm: 5.9)

Rattus norvegicus (Brain)

Spectroswiss - sol_2x_br_2

Resolution: 17μm, 488x193

Description

Ceftaroline fosamil

Formula: C22H21N8O8PS4 (684.0103)
Adducts: [M]+ (Ppm: 7.9)

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%).