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 14 Reference Ions Near m/z 838.5538
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043166 Reliable 838.5617 838.5611 ~ 838.562
MzDiff: 3.6 ppm
PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019318)
Formula: C46H80NO10P (837.552)
14.65 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043203 Reliable 838.5627 838.5621 ~ 838.563
MzDiff: 3.8 ppm
PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019318)
Formula: C46H80NO10P (837.552)
8.09 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000058327 Reliable 838.5464 838.5461 ~ 838.5467
MzDiff: 2.6 ppm
PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018579)
Formula: C49H76NO8P (837.5308)
4.78 (67%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000046866 Unreliable 838.5604 838.5601 ~ 838.5609
MzDiff: 3.1 ppm
PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019318)
Formula: C46H80NO10P (837.552)
4.94 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000046911 Unreliable 838.5481 838.5481 ~ 838.5481
MzDiff: none
PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018579)
Formula: C49H76NO8P (837.5308)
3.16 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000046980 Unreliable 838.5564 838.5564 ~ 838.5564
MzDiff: none
PG(16:0/PGF2alpha) (BioDeep_00000193581)
Formula: C42H77O13P (820.5102)
3.06 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052031 Unreliable 838.5622 838.5622 ~ 838.5622
MzDiff: none
PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019318)
Formula: C46H80NO10P (837.552)
2.35 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052033 Unreliable 838.5538 838.5538 ~ 838.5538
MzDiff: none
PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018579)
Formula: C49H76NO8P (837.5308)
2.35 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052167 Unreliable 838.5459 838.5459 ~ 838.5459
MzDiff: none
Not Annotated 2.29 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000055615 Unreliable 838.5438 838.5438 ~ 838.5438
MzDiff: 0.1 ppm
PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018579)
Formula: C49H76NO8P (837.5308)
1.91 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065382 Unreliable 838.5607 838.5606 ~ 838.5608
MzDiff: 1.0 ppm
PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019318)
Formula: C46H80NO10P (837.552)
2.72 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000004055 Unreliable 838.5573 838.5573 ~ 838.5573
MzDiff: none
PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019318)
Formula: C46H80NO10P (837.552)
1.1 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000044448 Unavailable 838.5593 838.5593 ~ 838.5593
MzDiff: none
PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019318)
Formula: C46H80NO10P (837.552)
-0.26 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000056120 Unavailable 838.5638 838.5638 ~ 838.5638
MzDiff: none
PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019318)
Formula: C46H80NO10P (837.552)
-0.55 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 6 Sample Hits
Metabolite Species Sample
PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z))

Formula: C46H80NO10P (837.552)
Adducts: [M+H]+ (Ppm: 2.3)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description

PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z))

Formula: C46H80NO10P (837.552)
Adducts: [M+H]+ (Ppm: 2.2)
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.

PG(16:0/PGF2alpha)

Formula: C42H77O13P (820.5102)
Adducts: [M+NH4]+ (Ppm: 14.8)
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).

PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C49H76NO8P (837.5308)
Adducts: [M+H]+ (Ppm: 18.7)
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).

PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C49H76NO8P (837.5308)
Adducts: [M+H]+ (Ppm: 18.7)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

m/z_838.5536

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description