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 807.5399
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006247 Reliable 807.5496 807.5494 ~ 807.5499
MzDiff: 1.9 ppm
Inhibitor CC (BioDeep_00000185359)
Formula: C44H70N8O6 (806.5418)
11.96 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000046579 Reliable 807.5453 807.5453 ~ 807.5453
MzDiff: none
Inhibitor CC (BioDeep_00000185359)
Formula: C44H70N8O6 (806.5418)
4.05 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000026553 Unreliable 807.5437 807.5437 ~ 807.5437
MzDiff: none
PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018558)
Formula: C44H74NO10P (807.505)
1.79 (100%) Mus musculus
[UBERON:0002048] lung

Found 8 Sample Hits
Metabolite Species Sample
Inhibitor CC

Formula: C44H70N8O6 (806.5418)
Adducts: [M+H]+ (Ppm: 0.6)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C44H74NO10P (807.505)
Adducts: [M-H2O+NH4]+ (Ppm: 17.9)
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

PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C44H74NO10P (807.505)
Adducts: [M-H2O+NH4]+ (Ppm: 19.1)
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.

PG(18:1(11Z)/18:1(12Z)-2OH(9,10))

Formula: C42H79O12P (806.5309)
Adducts: [M+H]+ (Ppm: 1.8)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

Inhibitor CC

Formula: C44H70N8O6 (806.5418)
Adducts: [M+H]+ (Ppm: 4.7)
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.

PG(18:1(11Z)/18:1(12Z)-2OH(9,10))

Formula: C42H79O12P (806.5309)
Adducts: [M+H]+ (Ppm: 1.7)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PG(18:1(11Z)/18:1(12Z)-2OH(9,10))

Formula: C42H79O12P (806.5309)
Adducts: [M+H]+ (Ppm: 1.9)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PG(18:1(11Z)/18:1(12Z)-2OH(9,10))

Formula: C42H79O12P (806.5309)
Adducts: [M+H]+ (Ppm: 2.2)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description