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 8 Reference Ions Near m/z 369.0256
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000046598 Reliable 369.0256 369.0256 ~ 369.0256
MzDiff: none
3,3'-Bisjuglone (BioDeep_00000024501)
Formula: C20H10O6 (346.0477)
3.97 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000058389 Unreliable 369.0216 369.0214 ~ 369.022
MzDiff: 2.5 ppm
Quazepam (BioDeep_00000006475)
Formula: C17H11ClF4N2S (386.0268)
2.97 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000012963 Unavailable 369.0177 369.0177 ~ 369.0177
MzDiff: none
Disuccinimido dithiobispropionate (BioDeep_00000174860)
Formula: C14H16N2O8S2 (404.0348)
-0.57 (100%) Plant
[PO:0005020] vascular bundle
MSI_000013852 Unreliable 369.0177 369.0177 ~ 369.0177
MzDiff: none
Disuccinimido dithiobispropionate (BioDeep_00000174860)
Formula: C14H16N2O8S2 (404.0348)
0.02 (100%) Plant
[PO:0005417] phloem
MSI_000015239 Unavailable 369.0177 369.0177 ~ 369.0177
MzDiff: none
Disuccinimido dithiobispropionate (BioDeep_00000174860)
Formula: C14H16N2O8S2 (404.0348)
-0.64 (100%) Plant
[PO:0006036] root epidermis
MSI_000018563 Unreliable 369.0177 369.0177 ~ 369.0177
MzDiff: none
Disuccinimido dithiobispropionate (BioDeep_00000174860)
Formula: C14H16N2O8S2 (404.0348)
1.72 (100%) Plant
[PO:0020124] root stele
MSI_000020165 Unavailable 369.0177 369.0177 ~ 369.0177
MzDiff: none
Disuccinimido dithiobispropionate (BioDeep_00000174860)
Formula: C14H16N2O8S2 (404.0348)
-0.54 (100%) Plant
[PO:0025197] stele
MSI_000040747 Unreliable 369.0176 369.0176 ~ 369.0176
MzDiff: none
7-chloro-3-[(6-chloro-4-hydroxy-1h-indol-3-yl)methyl]-5-hydroxy-6-methyl-3h-1,4-benzoxazepin-2-one (BioDeep_00002132233)
Formula: C19H14Cl2N2O4 (404.0331)
2.22 (100%) Posidonia oceanica
[PO:0006036] root epidermis

Found 7 Sample Hits
Metabolite Species Sample
3,3'-Bisjuglone

Formula: C20H10O6 (346.0477)
Adducts: [M+Na]+ (Ppm: 11.8)
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.

Chlormerodrin

Formula: C5H11ClHgN2O2 (368.0215)
Adducts: [M+H]+ (Ppm: 9.5)
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).

Chlormerodrin

Formula: C5H11ClHgN2O2 (368.0215)
Adducts: [M+H]+ (Ppm: 18.7)
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).

Quazepam

Formula: C17H11ClF4N2S (386.0268)
Adducts: [M+H-H2O]+ (Ppm: 4.5)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

Quazepam

Formula: C17H11ClF4N2S (386.0268)
Adducts: [M+H-H2O]+ (Ppm: 5.6)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

Quazepam

Formula: C17H11ClF4N2S (386.0268)
Adducts: [M+H-H2O]+ (Ppm: 4)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

Quazepam

Formula: C17H11ClF4N2S (386.0268)
Adducts: [M+H-H2O]+ (Ppm: 4.8)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description