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 7 Reference Ions Near m/z 405.2726
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000057749 Reliable 405.2801 405.28 ~ 405.2802
MzDiff: 0.7 ppm
mepitiostane (BioDeep_00000180742)
Formula: C25H40O2S (404.2749)
5.76 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000065121 Reliable 405.2797 405.2795 ~ 405.28
MzDiff: 1.9 ppm
mepitiostane (BioDeep_00000180742)
Formula: C25H40O2S (404.2749)
6.12 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000056682 Reliable 405.2784 405.2782 ~ 405.2789
MzDiff: 3.0 ppm
Eliglustat (BioDeep_00000178657)
Formula: C23H36N2O4 (404.2675)
3.63 (67%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000046884 Unreliable 405.2796 405.2794 ~ 405.2799
MzDiff: 1.8 ppm
mepitiostane (BioDeep_00000180742)
Formula: C25H40O2S (404.2749)
1.46 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047105 Unreliable 405.2812 405.2812 ~ 405.2812
MzDiff: none
mepitiostane (BioDeep_00000180742)
Formula: C25H40O2S (404.2749)
2.8 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047492 Unreliable 405.2726 405.2726 ~ 405.2726
MzDiff: none
N-(4-Methoxyphenyl)-all-trans-retinamide (BioDeep_00000181215)
Formula: C27H35NO2 (405.2668)
2.27 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000058377 Unreliable 405.2799 405.2798 ~ 405.2799
MzDiff: 0.2 ppm
mepitiostane (BioDeep_00000180742)
Formula: C25H40O2S (404.2749)
0.87 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 6 Sample Hits
Metabolite Species Sample
Eliglustat

Formula: C23H36N2O4 (404.2675)
Adducts: [M+H]+ (Ppm: 3.3)
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.

N-(4-Methoxyphenyl)-all-trans-retinamide

Formula: C27H35NO2 (405.2668)
Adducts: [M]+ (Ppm: 15.8)
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).

N-(4-Methoxyphenyl)-all-trans-retinamide

Formula: C27H35NO2 (405.2668)
Adducts: [M]+ (Ppm: 18.5)
Homo sapiens (colorectal adenocarcinoma)
520TopL, 490TopR, 510BottomL, 500BottomR-profile
Resolution: 17μm, 147x131

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_405.2745

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).

Eliglustat

Formula: C23H36N2O4 (404.2675)
Adducts: [M+H]+ (Ppm: 3.1)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

Eliglustat

Formula: C23H36N2O4 (404.2675)
Adducts: [M+H]+ (Ppm: 8)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description