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 6 Reference Ions Near m/z 337.1776
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000052842 Reliable 337.1852 337.185 ~ 337.1858
MzDiff: 3.2 ppm
S-Japonin (BioDeep_00000022113)
Formula: C19H28O3S (336.1759)
5.35 (71%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000046306 Reliable 337.1776 337.1776 ~ 337.1776
MzDiff: none
4-oxo-Retinoic acid (BioDeep_00000019605)
Formula: C20H26O3 (314.1882)
5.26 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000015919 Unreliable 337.1719 337.1719 ~ 337.1719
MzDiff: 0.1 ppm
Linezolid (BioDeep_00000002017)
Formula: C16H20FN3O4 (337.1438)
3.01 (100%) Vitis vinifera
[PO:0009085] exocarp
MSI_000053358 Unreliable 337.183 337.183 ~ 337.183
MzDiff: none
4-oxo-Retinoic acid (BioDeep_00000019605)
Formula: C20H26O3 (314.1882)
2.62 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000016671 Unreliable 337.1719 337.1719 ~ 337.1719
MzDiff: none
Linezolid (BioDeep_00000002017)
Formula: C16H20FN3O4 (337.1438)
0.27 (100%) Vitis vinifera
[PO:0009086] endocarp
MSI_000057660 Unreliable 337.1872 337.1872 ~ 337.1872
MzDiff: none
Yohimbine (BioDeep_00000000695)
Formula: C21H26N2O3 (354.1943)
0.7 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 7 Sample Hits
Metabolite Species Sample
S-Japonin

Formula: C19H28O3S (336.1759)
Adducts: [M+H]+ (Ppm: 2.1)
Homo sapiens (esophagus)
TO42T
Resolution: 17μm, 69x81

Description

4-oxo-Retinoic acid

Formula: C20H26O3 (314.1882)
Adducts: [M+Na]+ (Ppm: 0.6)
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.

S-Japonin

Formula: C19H28O3S (336.1759)
Adducts: [M+H]+ (Ppm: 4.2)
Homo sapiens (esophagus)
LNTO30_8M_1
Resolution: 17μm, 69x54

Description

N2-Fructopyranosylarginine

Formula: C12H24N4O7 (336.1645)
Adducts: [M+H]+ (Ppm: 16.1)
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-oxo-Retinoic acid

Formula: C20H26O3 (314.1882)
Adducts: [M+Na]+ (Ppm: 8.3)
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).

Yohimbine

Formula: C21H26N2O3 (354.1943)
Adducts: [M+H-H2O]+ (Ppm: 19.7)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

S-Japonin

Formula: C19H28O3S (336.1759)
Adducts: [M+H]+ (Ppm: 2.4)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description