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 2 Reference Ions Near m/z 485.0566
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000008173 Reliable 485.0568 485.0567 ~ 485.0569
MzDiff: 0.9 ppm
Iodiconazole (BioDeep_00000180046)
Formula: C19H19F2IN4O (484.0572)
13.92 (100%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000025331 Unreliable 485.0477 485.0474 ~ 485.0479
MzDiff: 2.3 ppm
Avagacestat (BioDeep_00000176319)
Formula: C20H17ClF4N4O4S (520.0595)
4.23 (100%) Mus musculus
[UBERON:0000913] interstitial fluid

Found 14 Sample Hits
Metabolite Species Sample
Kaempferol 3,7-di-O-sulfate

Formula: C15H10O12S2 (445.9614)
Adducts: [M+K]+ (Ppm: 5.2)
Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe

Iodiconazole

Formula: C19H19F2IN4O (484.0572)
Adducts: [M+H]+ (Ppm: 16)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_17
Resolution: 17μm, 208x108

Description

1 male adult wild-type rat was obtained from Inserm U1085 - Irset Research Institute (University of Rennes1, France). Animals were age 60 days and were reared under ad-lib conditions. Care and handling of all animals complied with EU directive 2010/63/EU on the protection of animals used for scientific purposes. The whole epididymis was excised from each animal immediately post-mortem, loosely wrapped rapidly in an aluminum foil and a 2.5% (w/v) carboxymethylcellulose (CMC) solution was poured to embed the epididymis to preserve their morphology. To remove air bubbles, the filled aluminum molds was gently freezed by depositing it on isopentane or dry ice, then on the nitrogen vapors and finally by progressively dipping the CMC/sample coated with aluminum foil into liquid nitrogen (or only flush with liquid nitrogen). Frozen tissues were stored at -80 °C until use to avoid degradation.

Iodiconazole

Formula: C19H19F2IN4O (484.0572)
Adducts: [M+H]+ (Ppm: 16)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

Iodiconazole

Formula: C19H19F2IN4O (484.0572)
Adducts: [M+H]+ (Ppm: 15.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

Iodiconazole

Formula: C19H19F2IN4O (484.0572)
Adducts: [M+H]+ (Ppm: 15.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

Iodiconazole

Formula: C19H19F2IN4O (484.0572)
Adducts: [M+H]+ (Ppm: 15.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

Kaempferol 3,7-di-O-sulfate

Formula: C15H10O12S2 (445.9614)
Adducts: [M+K]+ (Ppm: 4.8)
Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late

Iodiconazole

Formula: C19H19F2IN4O (484.0572)
Adducts: [M+H]+ (Ppm: 15.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

Iodiconazole

Formula: C19H19F2IN4O (484.0572)
Adducts: [M+H]+ (Ppm: 15.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

Iodiconazole

Formula: C19H19F2IN4O (484.0572)
Adducts: [M+H]+ (Ppm: 15.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

Iodiconazole

Formula: C19H19F2IN4O (484.0572)
Adducts: [M+H]+ (Ppm: 15.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

Iodiconazole

Formula: C19H19F2IN4O (484.0572)
Adducts: [M+H]+ (Ppm: 15.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_14
Resolution: 17μm, 205x103

Description

Avagacestat

Formula: C20H17ClF4N4O4S (520.0595)
Adducts: [M+H-2H2O]+ (Ppm: 3.6)
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

8-Pcpt-2'-O-Me-cAMP

Formula: C17H17ClN5O6PS (485.0326)
Adducts: [M-H2O+NH4]+ (Ppm: 1.6)
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.