M/Z: 435.0314

Hit 2 annotations: Metosulam_[M+NH4]+; Allura red AC_[M+H-H2O]+

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 435.0314

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000055051 Unreliable	435.0313	435.0313 ~ 435.0313 MzDiff: `none`	Allura red AC (BioDeep_00000034399) Formula: C18H16N2O8S2 (452.0348)	1.55 (100%)	MALDI - DHB [NOVOCELL:BACKGROUND] blank
MSI_000010385 Unavailable	435.0326	435.0326 ~ 435.0326 MzDiff: `none`	Metosulam (BioDeep_00000002052) Formula: C14H13Cl2N5O4S (417.0065)	-1.1 (100%)	Bathymodiolus [UBERON:0009120] gill filament
MSI_000044692 Unavailable	435.0349	435.0349 ~ 435.0349 MzDiff: `none`	Allura red AC (BioDeep_00000034399) Formula: C18H16N2O8S2 (452.0348)	-0.42 (100%)	Rattus norvegicus [UBERON:0002264] olfactory bulb

Found 3 Sample Hits

Metabolite	Species	Sample
Metosulam Formula: C14H13Cl2N5O4S (417.0065) Adducts: [M+NH4]+ (Ppm: 17.8)	Bathymodiolus (epithelial host cells)	MPIMM_039_QE_P_BP_CF_Bputeoserpentis_MALDI-FISH8_Sl14_s1_DHB_233x233_3um Resolution: 3μm, 233x234 Description
Allura red AC Formula: C18H16N2O8S2 (452.0348) Adducts: [M+H-H2O]+ (Ppm: 0.3)	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.
Allura red AC Formula: C18H16N2O8S2 (452.0348) Adducts: [M+H-H2O]+ (Ppm: 0.5)	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.

Metabolite

Species

Sample

Metosulam

Formula: C14H13Cl2N5O4S (417.0065)
Adducts: [M+NH4]+ (Ppm: 17.8)

Bathymodiolus (epithelial host cells)

MPIMM_039_QE_P_BP_CF_Bputeoserpentis_MALDI-FISH8_Sl14_s1_DHB_233x233_3um

Resolution: 3μm, 233x234

Description

Allura red AC

Formula: C18H16N2O8S2 (452.0348)
Adducts: [M+H-H2O]+ (Ppm: 0.3)

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.

Allura red AC

Formula: C18H16N2O8S2 (452.0348)
Adducts: [M+H-H2O]+ (Ppm: 0.5)

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.