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 12 Reference Ions Near m/z 854.5991
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000060590 Unreliable 854.6036 854.6032 ~ 854.6039
MzDiff: 3.0 ppm
PE-NMe2(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000106848)
Formula: C51H86NO8P (871.6091)
7.71 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000010667 Unavailable 854.5902 854.5902 ~ 854.5902
MzDiff: 0.0 ppm
PE(22:0/PGJ2) (BioDeep_00000208742)
Formula: C47H84NO10P (853.5833)
-2.42 (67%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000012255 Unavailable 854.5902 854.5902 ~ 854.5902
MzDiff: 0.0 ppm
PE(22:0/PGJ2) (BioDeep_00000208742)
Formula: C47H84NO10P (853.5833)
-1.07 (100%) Bathymodiolus
[UBERON:2000211] gill lamella
MSI_000002865 Unavailable 854.6039 854.6039 ~ 854.6039
MzDiff: none
PE-NMe2(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000106848)
Formula: C51H86NO8P (871.6091)
-0.49 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003290 Unavailable 854.6039 854.6039 ~ 854.6039
MzDiff: none
PE-NMe2(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000106848)
Formula: C51H86NO8P (871.6091)
-0.08 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000004738 Unreliable 854.6039 854.6039 ~ 854.6039
MzDiff: none
PE-NMe2(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000106848)
Formula: C51H86NO8P (871.6091)
2.36 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005755 Unavailable 854.6039 854.6039 ~ 854.6039
MzDiff: none
PE-NMe2(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000106848)
Formula: C51H86NO8P (871.6091)
-0.57 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000026616 Unreliable 854.5906 854.5906 ~ 854.5906
MzDiff: none
PE(22:0/PGJ2) (BioDeep_00000208742)
Formula: C47H84NO10P (853.5833)
1.79 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000044696 Unavailable 854.5946 854.5946 ~ 854.5946
MzDiff: none
PE(22:0/PGJ2) (BioDeep_00000208742)
Formula: C47H84NO10P (853.5833)
-0.42 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000059171 Unavailable 854.6032 854.6032 ~ 854.6032
MzDiff: none
PE-NMe2(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000106848)
Formula: C51H86NO8P (871.6091)
-0.8 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000059555 Unreliable 854.6032 854.6032 ~ 854.6032
MzDiff: none
PE-NMe2(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000106848)
Formula: C51H86NO8P (871.6091)
1.12 (100%) Mus musculus
[UBERON:0002298] brainstem
MSI_000061420 Unavailable 854.6034 854.6034 ~ 854.6034
MzDiff: none
PE-NMe2(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000106848)
Formula: C51H86NO8P (871.6091)
-0.06 (100%) Mus musculus
[UBERON:0000956] cerebral cortex

Found 7 Sample Hits
Metabolite Species Sample
PE-NMe2(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C51H86NO8P (871.6091)
Adducts: [M+H-H2O]+ (Ppm: 2.2)
Rattus norvegicus (Brain)
Spectroswiss - sol_2x_br_2
Resolution: 17μm, 488x193

Description

PE-NMe2(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C51H86NO8P (871.6091)
Adducts: [M+H-H2O]+ (Ppm: 5.4)
Mus musculus (Lung)
image1
Resolution: 40μm, 187x165

Description

Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. 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. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin. Fig 1-3, Fig S1-S3, S5

m/z_854.5952

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.

PE(22:0/PGJ2)

Formula: C47H84NO10P (853.5833)
Adducts: [M+H]+ (Ppm: 10)
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.

PE(22:0/PGJ2)

Formula: C47H84NO10P (853.5833)
Adducts: [M+H]+ (Ppm: 2.2)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

PE-NMe2(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C51H86NO8P (871.6091)
Adducts: [M+H-H2O]+ (Ppm: 2.1)
Mus musculus (brain)
Brain02_Bregma-3-88
Resolution: 17μm, 288x282

Description

PE(22:0/PGJ2)

Formula: C47H84NO10P (853.5833)
Adducts: [M+H]+ (Ppm: 2.7)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description