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 817.6021
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006624 Reliable 817.5935 817.5933 ~ 817.5939
MzDiff: 2.4 ppm
PA(24:1(15Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000191431)
Formula: C45H85O10P (816.588)
6.64 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000021202 Reliable 817.5936 817.5933 ~ 817.5939
MzDiff: 2.4 ppm
PA(24:1(15Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000191431)
Formula: C45H85O10P (816.588)
3.2 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000052356 Unreliable 817.593 817.593 ~ 817.593
MzDiff: none
Not Annotated 2.15 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052592 Unreliable 817.5992 817.5992 ~ 817.5992
MzDiff: none
Not Annotated 1.43 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052968 Unreliable 817.6062 817.6062 ~ 817.6062
MzDiff: none
SM(d19:0/PGF2alpha) (BioDeep_00000215618)
Formula: C44H85N2O9P (816.5992)
3.11 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000026766 Unreliable 817.5942 817.5942 ~ 817.5942
MzDiff: none
PA(24:1(15Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000191431)
Formula: C45H85O10P (816.588)
1.79 (100%) Mus musculus
[UBERON:0002048] lung

Found 5 Sample Hits
Metabolite Species Sample
PA(24:1(15Z)/18:1(12Z)-2OH(9,10))

Formula: C45H85O10P (816.588)
Adducts: [M+H]+ (Ppm: 1.3)
Mus musculus (Lung)
image5
Resolution: 40μm, 163x183

Description

Supplementary Figure S8. MALDI-MSI data of mouse lung tissue administered with D9-choline and U 13C-DPPC–containing Poractant alfa surfactant (labels administered 18 h prior to sacrifice). 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-DPPC+Na]+ (red) and [D9-PC32:0+Na]+ (green). Parts per million (ppm) mass errors are indicated in parentheses. All images were visualised using totalion-current normalisation and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0.

SM(d19:0/PGF2alpha)

Formula: C44H85N2O9P (816.5992)
Adducts: [M+H]+ (Ppm: 5.9)
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.

m/z_817.5974

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (colorectal adenocarcinoma)
80TopL, 50TopR, 70BottomL, 60BottomR-profile
Resolution: 17μm, 137x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

m/z_817.5992

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (colorectal adenocarcinoma)
439TopL, 409TopR, 429BottomL, 419BottomR-profile
Resolution: 17μm, 157x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

SM(d19:0/PGF2alpha)

Formula: C44H85N2O9P (816.5992)
Adducts: [M+H]+ (Ppm: 5.4)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description