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 859.547
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043156 Reliable 859.5375 859.537 ~ 859.5379
MzDiff: 3.9 ppm
PI(20:4(5Z,8Z,11Z,14Z)/16:0) (BioDeep_00000031081)
Formula: C45H79O13P (858.5258)
14.87 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047632 Unreliable 859.5536 859.5536 ~ 859.5536
MzDiff: none
PS(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000105161)
Formula: C48H78NO10P (859.5363)
2.2 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047686 Unreliable 859.5451 859.5451 ~ 859.5451
MzDiff: none
Mycobactin J (BioDeep_00000181154)
Formula: C45H71N5O10 (841.5201)
2.17 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051799 Unreliable 859.5383 859.5383 ~ 859.5383
MzDiff: none
PI(20:4(5Z,8Z,11Z,14Z)/16:0) (BioDeep_00000031081)
Formula: C45H79O13P (858.5258)
2.44 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000051904 Unreliable 859.547 859.547 ~ 859.547
MzDiff: none
PC(18:4(6Z,9Z,12Z,15Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211902)
Formula: C48H76NO9P (841.5257)
2.39 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052141 Unreliable 859.5552 859.5552 ~ 859.5552
MzDiff: none
Not Annotated 2.3 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000056096 Unavailable 859.5379 859.5379 ~ 859.5379
MzDiff: none
PI(20:4(5Z,8Z,11Z,14Z)/16:0) (BioDeep_00000031081)
Formula: C45H79O13P (858.5258)
-0.55 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 6 Sample Hits
Metabolite Species Sample
PI(20:4(5Z,8Z,11Z,14Z)/16:0)

Formula: C45H79O13P (858.5258)
Adducts: [M+H]+ (Ppm: 14.3)
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.

Mycobactin J

Formula: C45H71N5O10 (841.5201)
Adducts: [M+NH4]+ (Ppm: 10.2)
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).

PI(16:0/20:4)

Formula: C45H79O13P (858.5258)
Adducts: [M+H]+ (Ppm: 13.1)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description

Mycobactin J

Formula: C45H71N5O10 (841.5201)
Adducts: [M+NH4]+ (Ppm: 10.9)
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).

PC(18:4(6Z,9Z,12Z,15Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C48H76NO9P (841.5257)
Adducts: [M+NH4]+ (Ppm: 14.6)
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).

PC(18:4(6Z,9Z,12Z,15Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C48H76NO9P (841.5257)
Adducts: [M+NH4]+ (Ppm: 14.9)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description