M/Z: 684.0078

Hit 3 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]+; Ferric enterobactin ion_[M+H-2H2O]+

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 684.0078

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 5 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: 5.2)	Vitis vinifera (Fruit)	grape_dhb_91_1 Resolution: 50μm, 120x114 Description Grape berries fruit, condition: Ripe
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: 5.1)	Vitis vinifera (Fruit)	grape_dhb_164_1 Resolution: 17μm, 136x122 Description Grape berries fruit, condition: Late
Ceftaroline fosamil Formula: C22H21N8O8PS4 (684.0103) Adducts: [M]+ (Ppm: 4.7)	Mus musculus (Lung)	image4 Resolution: 40μm, 162x156 Description Fig 6c Fig. 6 MALDI-MSI of U13C-PC16:0/16:0 acyl chain remodeling. A: Averaged MALDI mass spectrum from lung tissue collected from mice euthanized 12 h after administration of D9-choline and U13C-DPPC–containing Poractant alfa surfactant. The ion at m/z 828.6321 is assigned as the [M+Na]+ ion of 13C24-PC16:0_20:4 formed by acyl remodeling of U13C-PC16:0/16:0. The “NL” value refers to the intensity of the base peak in the full range MS1 spectrum. B: MS/MS spectrum of precursor ions at m/z 828.5 ± 0.5 with fragment ions originating from [13C24-PC16:0_20:4+Na]+ annotated. Part-per-million (ppm) mass errors are provided in parentheses. C, D: MALDI-MSI data of [U13C-DPPC+Na]+ (blue), [PC36:4+Na]+ (green) and [13C24-PC16:0_20:4+Na]+ (red) in lung tissue collected from mice (C) 12 h and (D) 18 h after label administration. All images were visualized using total-ion-current normalization and hotspot removal (high quantile = 99%). MS/MS, tandem mass spectrometry; MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.
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%).
Ferric enterobactin ion Formula: C30H21FeN3O15-3 (719.0322) Adducts: [M+H-2H2O]+ (Ppm: 16.2)	Mytilus edulis (gill)	20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210 Resolution: 11μm, 305x210 Description single cell layer `class_4` is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell