M/Z: 520.9789

Hit 1 annotations: 1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-4-morpholinyl-1H-pyrazole-3-carboxamide_[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 5 Reference Ions Near m/z 520.9789

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000015782 Unreliable	520.9884	520.9884 ~ 520.9885 MzDiff: `0.2 ppm`	13,15-dibromo-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-3,4,7,8,9,10-hexahydro-2-benzoxacyclotetradecin-1-one (BioDeep_00002218199) Formula: C19H22Br2O7 (519.9732)	3.42 (50%)	Vitis vinifera [PO:0009085] exocarp
MSI_000038958 Unreliable	520.9885	520.9881 ~ 520.9889 MzDiff: `3.4 ppm`	(e)-[(2e)-4,6-dibromo-3,7-dimethylocta-2,7-dien-1-ylidene][(2,3,4,5,6-pentafluorophenyl)methoxy]amine (BioDeep_00002186732) Formula: C17H16Br2F5NO (502.9519)	1.3 (100%)	Posidonia oceanica [PO:0005059] root endodermis
MSI_000034509 Unreliable	520.9879	520.9879 ~ 520.9879 MzDiff: `none`	(e)-[(2e)-4,6-dibromo-3,7-dimethylocta-2,7-dien-1-ylidene][(2,3,4,5,6-pentafluorophenyl)methoxy]amine (BioDeep_00002186732) Formula: C17H16Br2F5NO (502.9519)	0.95 (100%)	Posidonia oceanica [PO:0006036] root epidermis
MSI_000050486 Unreliable	520.9697	520.9697 ~ 520.9697 MzDiff: `none`	1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-4-morpholinyl-1H-pyrazole-3-carboxamide (BioDeep_00000175943) Formula: C21H19Cl2IN4O2 (555.993)	0 (100%)	Mytilus edulis [UBERON:0009120] gill filament
MSI_000051485 Unreliable	520.9697	520.9697 ~ 520.9697 MzDiff: `none`	1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-4-morpholinyl-1H-pyrazole-3-carboxamide (BioDeep_00000175943) Formula: C21H19Cl2IN4O2 (555.993)	0 (100%)	Mytilus edulis [UBERON:2001856] gill ray

Found 2 Sample Hits

Metabolite	Species	Sample
1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-4-morpholinyl-1H-pyrazole-3-carboxamide Formula: C21H19Cl2IN4O2 (555.993) Adducts: [M+H-2H2O]+ (Ppm: 7.1)	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.
1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-4-morpholinyl-1H-pyrazole-3-carboxamide Formula: C21H19Cl2IN4O2 (555.993) Adducts: [M+H-2H2O]+ (Ppm: 0.4)	Homo sapiens (esophagus)	LNTO22_1_7 Resolution: 75μm, 69x54 Description

Metabolite

Species

Sample

1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-4-morpholinyl-1H-pyrazole-3-carboxamide

Formula: C21H19Cl2IN4O2 (555.993)
Adducts: [M+H-2H2O]+ (Ppm: 7.1)

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.

1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-4-morpholinyl-1H-pyrazole-3-carboxamide

Formula: C21H19Cl2IN4O2 (555.993)
Adducts: [M+H-2H2O]+ (Ppm: 0.4)

Homo sapiens (esophagus)

LNTO22_1_7

Resolution: 75μm, 69x54

Description