M/Z: 653.416

Hit 2 annotations: 1-{5,6,8a-trimethyl-5-[2-(2-oxo-5h-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalen-1-yl}methyl 3-{5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl}methyl propanedioate_[M+H-2H2O]+; Notoginsenoside T1_[M+H]+

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 653.416

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000056431 Reliable	653.4065	653.4062 ~ 653.407 MzDiff: `3.1 ppm`	PA(13:0/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000187888) Formula: C36H65O10P (688.4315)	14.53 (64%)	DESI [NOVOCELL:BACKGROUND] blank
MSI_000045927 Reliable	653.416	653.416 ~ 653.416 MzDiff: `none`	Notoginsenoside T1 (BioDeep_00000019739) Formula: C36H60O10 (652.4186)	7.89 (100%)	Mus musculus [UBERON:0002107] liver
MSI_000044797 Unavailable	653.4218	653.4218 ~ 653.4218 MzDiff: `none`	Notoginsenoside T1 (BioDeep_00000019739) Formula: C36H60O10 (652.4186)	-0.47 (100%)	Rattus norvegicus [UBERON:0002264] olfactory bulb

Found 2 Sample Hits

Metabolite	Species	Sample
1-{5,6,8a-trimethyl-5-[2-(2-oxo-5h-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalen-1-yl}methyl 3-{5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl}methyl propanedioate Formula: C43H60O7 (688.4339) Adducts: [M+H-2H2O]+ (Ppm: 7.2)	Vitis vinifera (Fruit)	grape_dhb_91_1 Resolution: 50μm, 120x114 Description Grape berries fruit, condition: Ripe
Notoginsenoside T1 Formula: C36H60O10 (652.4186) Adducts: [M+H]+ (Ppm: 15.2)	Mus musculus (Liver)	Salmonella_final_pos_recal Resolution: 17μm, 691x430 Description A more complete and holistic view on host–microbe interactions is needed to understand the physiological and cellular barriers that affect the efficacy of drug treatments and allow the discovery and development of new therapeutics. Here, we developed a multimodal imaging approach combining histopathology with mass spectrometry imaging (MSI) and same section imaging mass cytometry (IMC) to study the effects of Salmonella Typhimurium infection in the liver of a mouse model using the S. Typhimurium strains SL3261 and SL1344. This approach enables correlation of tissue morphology and specific cell phenotypes with molecular images of tissue metabolism. IMC revealed a marked increase in immune cell markers and localization in immune aggregates in infected tissues. A correlative computational method (network analysis) was deployed to find metabolic features associated with infection and revealed metabolic clusters of acetyl carnitines, as well as phosphatidylcholine and phosphatidylethanolamine plasmalogen species, which could be associated with pro-inflammatory immune cell types. By developing an IMC marker for the detection of Salmonella LPS, we were further able to identify and characterize those cell types which contained S. Typhimurium. [dataset] Nicole Strittmatter. Holistic Characterization of a Salmonella Typhimurium Infection Model Using Integrated Molecular Imaging, metabolights_dataset, V1; 2022. https://www.ebi.ac.uk/metabolights/MTBLS2671.

Metabolite

Species

Sample

1-{5,6,8a-trimethyl-5-[2-(2-oxo-5h-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalen-1-yl}methyl 3-{5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl}methyl propanedioate

Formula: C43H60O7 (688.4339)
Adducts: [M+H-2H2O]+ (Ppm: 7.2)

Vitis vinifera (Fruit)

grape_dhb_91_1

Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe

Notoginsenoside T1

Formula: C36H60O10 (652.4186)
Adducts: [M+H]+ (Ppm: 15.2)

Mus musculus (Liver)

Salmonella_final_pos_recal

Resolution: 17μm, 691x430

Description

A more complete and holistic view on host–microbe interactions is needed to understand the physiological and cellular barriers that affect the efficacy of drug treatments and allow the discovery and development of new therapeutics. Here, we developed a multimodal imaging approach combining histopathology with mass spectrometry imaging (MSI) and same section imaging mass cytometry (IMC) to study the effects of Salmonella Typhimurium infection in the liver of a mouse model using the S. Typhimurium strains SL3261 and SL1344. This approach enables correlation of tissue morphology and specific cell phenotypes with molecular images of tissue metabolism. IMC revealed a marked increase in immune cell markers and localization in immune aggregates in infected tissues. A correlative computational method (network analysis) was deployed to find metabolic features associated with infection and revealed metabolic clusters of acetyl carnitines, as well as phosphatidylcholine and phosphatidylethanolamine plasmalogen species, which could be associated with pro-inflammatory immune cell types. By developing an IMC marker for the detection of Salmonella LPS, we were further able to identify and characterize those cell types which contained S. Typhimurium. [dataset] Nicole Strittmatter. Holistic Characterization of a Salmonella Typhimurium Infection Model Using Integrated Molecular Imaging, metabolights_dataset, V1; 2022. https://www.ebi.ac.uk/metabolights/MTBLS2671.