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 5 Reference Ions Near m/z 219.0204
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000016053 Reliable 219.0264 219.0263 ~ 219.0265
MzDiff: 0.5 ppm
Djenkolic_acid (BioDeep_00000000684)
Formula: C7H14N2O4S2 (254.0395)
2.7 (100%) Vitis vinifera
[PO:0009085] exocarp
MSI_000058047 Unreliable 219.0204 219.0203 ~ 219.0205
MzDiff: 0.9 ppm
1,4-Butanediphosphonic acid (BioDeep_00000172468)
Formula: C4H12O6P2 (218.0109)
3.29 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000032220 Unreliable 219.0264 219.0261 ~ 219.0267
MzDiff: 2.7 ppm
Djenkolic_acid (BioDeep_00000000684)
Formula: C7H14N2O4S2 (254.0395)
5.12 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000034724 Unreliable 219.0261 219.0261 ~ 219.0261
MzDiff: none
Djenkolic_acid (BioDeep_00000000684)
Formula: C7H14N2O4S2 (254.0395)
0.03 (100%) Posidonia oceanica
[PO:0006036] root epidermis
MSI_000035282 Unreliable 219.0261 219.0261 ~ 219.0261
MzDiff: none
Djenkolic_acid (BioDeep_00000000684)
Formula: C7H14N2O4S2 (254.0395)
0.67 (100%) Posidonia oceanica
[PO:0006203] pericycle

Found 3 Sample Hits
Metabolite Species Sample
Diphenyl disulfide

Formula: C12H10S2 (218.0224)
Adducts: [M+H]+ (Ppm: 13.1)
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.

1,4-Butanediphosphonic acid

Formula: C4H12O6P2 (218.0109)
Adducts: [M+H]+ (Ppm: 10.6)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

1,4-Butanediphosphonic acid

Formula: C4H12O6P2 (218.0109)
Adducts: [M+H]+ (Ppm: 9.6)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description