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 4 Reference Ions Near m/z 866.5494
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000010726 Unavailable 866.5539 866.5539 ~ 866.5539
MzDiff: 0.1 ppm
PE(22:2(13Z,16Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000208988)
Formula: C47H80NO11P (865.5469)
-3.82 (67%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000012002 Unavailable 866.5539 866.5539 ~ 866.5539
MzDiff: 0.0 ppm
PE(22:2(13Z,16Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000208988)
Formula: C47H80NO11P (865.5469)
-0.75 (100%) Bathymodiolus
[UBERON:2000211] gill lamella
MSI_000004023 Unreliable 866.5542 866.5542 ~ 866.5542
MzDiff: none
Josamycin (BioDeep_00000002552)
Formula: C42H69NO15 (827.4667)
1.14 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000025615 Unreliable 866.547 866.547 ~ 866.547
MzDiff: none
PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018554)
Formula: C50H75O10P (866.5098)
2.29 (100%) Mus musculus
[UBERON:0000913] interstitial fluid

Found 7 Sample Hits
Metabolite Species Sample
PE(22:2(13Z,16Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C47H80NO11P (865.5469)
Adducts: [M+H]+ (Ppm: 0.3)
Bathymodiolus (epithelial host cells)
MPIMM_054_QE_P_BP_CF_Bputeoserpentis_MALDI-FISH8_Sl16_s1_DHB_233x233_3um
Resolution: 3μm, 233x233

Description

PE-NMe2(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C51H80NO8P (865.5621)
Adducts: [M+H]+ (Ppm: 17.9)
Bathymodiolus (epithelial host cells)
MPIMM_039_QE_P_BP_CF_Bputeoserpentis_MALDI-FISH8_Sl14_s1_DHB_233x233_3um
Resolution: 3μm, 233x234

Description

Josamycin

Formula: C42H69NO15 (827.4667)
Adducts: [M+K]+ (Ppm: 11.8)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description

PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C50H75O10P (866.5098)
Adducts: [M-H2O+NH4]+ (Ppm: 16.1)
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

Josamycin

Formula: C42H69NO15 (827.4667)
Adducts: [M+K]+ (Ppm: 17.4)
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.

Demethoxyrapamycin

Formula: C50H77NO12 (883.5445)
Adducts: [M+H-H2O]+ (Ppm: 1.1)
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-NMe2(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C51H80NO8P (865.5621)
Adducts: [M+H]+ (Ppm: 17.5)
Drosophila melanogaster (brain)
Drosophila18
Resolution: 5μm, 686x685

Description

Sample information Organism: Drosophila melanogaster Organism part: Brain Condition: Healthy Sample preparation Sample stabilisation: Frozen Tissue modification: Frozen MALDI matrix: 2,5-dihydroxybenzoic acid (DHB) MALDI matrix application: TM sprayer Solvent: Aceton/water MS analysis Polarity: Positive Ionisation source: Prototype Analyzer: Orbitrap Pixel size: 5μm × 5μm Annotation settings m/z tolerance (ppm): 3 Analysis version: Original MSM Pixel count: 469910 Imzml file size: 696.23 MB Ibd file size: 814.11 MB