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 855.6507
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000001092 Unavailable 855.6535 855.6535 ~ 855.6535
MzDiff: none
octadecyl 2-(3-hydroxy-5-methoxyphenyl)-7-methoxy-5-[3-(octadecyloxy)-3-oxoprop-1-en-1-yl]-2,3-dihydro-1-benzofuran-3-carboxylate (BioDeep_00002327866)
Formula: C56H90O8 (890.6635)
-0.38 (100%) Mus musculus
[UBERON:0001224] renal pelvis
MSI_000001570 Unavailable 855.6535 855.6535 ~ 855.6535
MzDiff: none
octadecyl 2-(3-hydroxy-5-methoxyphenyl)-7-methoxy-5-[3-(octadecyloxy)-3-oxoprop-1-en-1-yl]-2,3-dihydro-1-benzofuran-3-carboxylate (BioDeep_00002327866)
Formula: C56H90O8 (890.6635)
-0.39 (100%) Mus musculus
[UBERON:0001225] cortex of kidney
MSI_000002057 Unavailable 855.6535 855.6535 ~ 855.6535
MzDiff: none
octadecyl 2-(3-hydroxy-5-methoxyphenyl)-7-methoxy-5-[3-(octadecyloxy)-3-oxoprop-1-en-1-yl]-2,3-dihydro-1-benzofuran-3-carboxylate (BioDeep_00002327866)
Formula: C56H90O8 (890.6635)
-0.4 (100%) Mus musculus
[UBERON:0001293] outer medulla of kidney
MSI_000026686 Unreliable 855.6558 855.6558 ~ 855.6558
MzDiff: none
PC(18:0/22:4) (BioDeep_00000029339)
Formula: C48H88NO8P (837.6247)
1.79 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000050018 Unreliable 855.6582 855.6582 ~ 855.6582
MzDiff: none
PC(18:0/22:4) (BioDeep_00000029339)
Formula: C48H88NO8P (837.6247)
1.17 (100%) Mytilus edulis
[UBERON:0009120] gill filament
MSI_000050621 Unreliable 855.6582 855.6582 ~ 855.6582
MzDiff: none
PC(18:0/22:4) (BioDeep_00000029339)
Formula: C48H88NO8P (837.6247)
1.61 (100%) Mytilus edulis
[UBERON:2001856] gill ray

Found 4 Sample Hits
Metabolite Species Sample
octadecyl 2-(3-hydroxy-5-methoxyphenyl)-7-methoxy-5-[3-(octadecyloxy)-3-oxoprop-1-en-1-yl]-2,3-dihydro-1-benzofuran-3-carboxylate

Formula: C56H90O8 (890.6635)
Adducts: [M+H-2H2O]+ (Ppm: 4.5)
Mus musculus (Kidney)
FULL_MS_centriod_CHCA_20210819
Resolution: 17μm, 638x437

Description

AP-MALDI instrument demo test, mass spectrum scan in centroid mode.

m/z_855.6548

Formula: - (n/a)
Adducts: (Ppm: 0)
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.

PC(18:0/22:4)

Formula: C48H88NO8P (837.6247)
Adducts: [M+NH4]+ (Ppm: 3.2)
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.

PC(18:0/22:4)

Formula: C48H88NO8P (837.6247)
Adducts: [M+NH4]+ (Ppm: 9.2)
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.