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 437.2033
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000052803 Reliable 437.1978 437.1974 ~ 437.198
MzDiff: 2.3 ppm
Fluphenazine (BioDeep_00000001985)
Formula: C22H26F3N3OS (437.1749)
8.06 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000017796 Reliable 437.1937 437.1937 ~ 437.1937
MzDiff: 0.1 ppm
Kanzonol K (BioDeep_00000026729)
Formula: C26H28O6 (436.1886)
1.38 (100%) Vitis vinifera
[PO:0009087] mesocarp
MSI_000053031 Unreliable 437.2065 437.2065 ~ 437.2065
MzDiff: none
S-adenosyl-4-methylthio-2-oxobutanoate (BioDeep_00000005517)
Formula: C15H20N5O6S+ (398.1134)
3.05 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000016579 Unreliable 437.1937 437.1937 ~ 437.1937
MzDiff: 0.0 ppm
Kanzonol K (BioDeep_00000026729)
Formula: C26H28O6 (436.1886)
0.52 (100%) Vitis vinifera
[PO:0009086] endocarp
MSI_000004600 Unreliable 437.2079 437.2079 ~ 437.2079
MzDiff: none
((4-(4-Amidinophenoxy)butanoyl)aspartyl)valine (BioDeep_00000171491)
Formula: C20H28N4O7 (436.1958)
0.4 (100%) Homo sapiens
[UBERON:0002107] liver

Found 7 Sample Hits
Metabolite Species Sample
((4-(4-Amidinophenoxy)butanoyl)aspartyl)valine

Formula: C20H28N4O7 (436.1958)
Adducts: [M+H]+ (Ppm: 0.5)
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

((4-(4-Amidinophenoxy)butanoyl)aspartyl)valine

Formula: C20H28N4O7 (436.1958)
Adducts: [M+H]+ (Ppm: 4.4)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

Fluphenazine

Formula: C22H26F3N3OS (437.1749)
Adducts: [M-H2O+NH4]+ (Ppm: 19.6)
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.

Fluphenazine

Formula: C22H26F3N3OS (437.1749)
Adducts: [M-H2O+NH4]+ (Ppm: 0.9)
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).

((4-(4-Amidinophenoxy)butanoyl)aspartyl)valine

Formula: C20H28N4O7 (436.1958)
Adducts: [M+H]+ (Ppm: 1.4)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description

2-Hydroxy-imipramine glucuronide

Formula: C25H32N2O7 (472.2209)
Adducts: [M+H-2H2O]+ (Ppm: 4.5)
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).

Fluphenazine

Formula: C22H26F3N3OS (437.1749)
Adducts: [M-H2O+NH4]+ (Ppm: 1.1)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description