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 12 Reference Ions Near m/z 810.5402
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000007918 810.5485 810.5482 ~ 810.5487
MzDiff: 1.7 ppm
PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000029768)
Formula: C48H78NO8P (827.5465)
2.05 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000043129 Unreliable 810.5312 810.531 ~ 810.5317
MzDiff: 2.6 ppm
PS(18:0/20:5(5Z,8Z,11Z,14Z,17Z)) (BioDeep_00000019317)
Formula: C44H76NO10P (809.5207)
4.35 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000046960 Unreliable 810.5364 810.5364 ~ 810.5364
MzDiff: none
SM(d19:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000215690)
Formula: C44H79N2O9P (810.5523)
3.09 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052247 Unreliable 810.5391 810.5391 ~ 810.5391
MzDiff: none
PI(16:0/16:0) (BioDeep_00000019299)
Formula: C41H79O13P (810.5258)
2.25 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000046929 Unreliable 810.544 810.544 ~ 810.544
MzDiff: none
PI(16:0/16:0) (BioDeep_00000019299)
Formula: C41H79O13P (810.5258)
3.13 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052493 Unreliable 810.5468 810.5468 ~ 810.5468
MzDiff: none
Not Annotated 1.93 (%) Homo sapiens
[UBERON:0001052] rectum
MSI_000055976 Unavailable 810.5317 810.5317 ~ 810.5317
MzDiff: none
PS(18:0/20:5(5Z,8Z,11Z,14Z,17Z)) (BioDeep_00000019317)
Formula: C44H76NO10P (809.5207)
-0.45 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000002783 Unavailable 810.5408 810.5408 ~ 810.5408
MzDiff: none
PC(18:3/22:6) (BioDeep_00001979859)
Formula: C48H78NO8P (827.5465)
-0.43 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003451 Unavailable 810.5408 810.5408 ~ 810.5408
MzDiff: none
PC(18:3/22:6) (BioDeep_00001979859)
Formula: C48H78NO8P (827.5465)
-0.45 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000004714 Unreliable 810.5408 810.5408 ~ 810.5408
MzDiff: none
PC(18:3/22:6) (BioDeep_00001979859)
Formula: C48H78NO8P (827.5465)
2.46 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005703 Unavailable 810.5408 810.5408 ~ 810.5408
MzDiff: none
PC(18:3/22:6) (BioDeep_00001979859)
Formula: C48H78NO8P (827.5465)
-0.49 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000044905 Unavailable 810.5485 810.5485 ~ 810.5485
MzDiff: none
PI(16:0/16:0) (BioDeep_00000019299)
Formula: C41H79O13P (810.5258)
-0.52 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb

Found 11 Sample Hits
Metabolite Species Sample
PC(18:3/22:6)

Formula: C48H78NO8P (827.5465)
Adducts: [M+H-H2O]+ (Ppm: 2.9)
Rattus norvegicus (Brain)
Spectroswiss - sol_2x_br_2
Resolution: 17μm, 488x193

Description

PS(18:0/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C44H76NO10P (809.5207)
Adducts: [M+H]+ (Ppm: 15.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

PS(18:0/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C44H76NO10P (809.5207)
Adducts: [M+H]+ (Ppm: 15.1)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

PS(18:0/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C44H76NO10P (809.5207)
Adducts: [M+H]+ (Ppm: 15)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

PS(18:0/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C44H76NO10P (809.5207)
Adducts: [M+H]+ (Ppm: 15)
Rattus norvegicus (normal)
epik_dhb_head_ito01_05
Resolution: 17μm, 183x105

Description

PS(18:0/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C44H76NO10P (809.5207)
Adducts: [M+H]+ (Ppm: 14.4)
Mus musculus (Lung)
image3
Resolution: 40μm, 146x190

Description

Fig. 4 MALDI-MSI data of mouse lung tissue after administration with D9-choline and U13C-DPPC–containing Poractant alfa surfactant (labels administered 12 h prior to tissue collection). Ion images of (A) m/z 796.6856 ([U13C-DPPC+Na]+), (B) m/z 756.5154 [PC32:0+Na]+), and (C) m/z 765.6079 ([D9-PC32:0+Na]+). D: Overlay image of [U13C-PC32:0+Na]+ (red) and [D9-PC32:0+Na]+ (green). 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. MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.

PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))

Formula: C48H78NO8P (827.5465)
Adducts: [M+H-H2O]+ (Ppm: 6.6)
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.

PI(16:0/16:0)

Formula: C41H79O13P (810.5258)
Adducts: [M-H2O+NH4]+ (Ppm: 6.2)
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).

SM(d19:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C44H79N2O9P (810.5523)
Adducts: [M]+ (Ppm: 19.3)
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).

PI(16:0/16:0)

Formula: C41H79O13P (810.5258)
Adducts: [M-H2O+NH4]+ (Ppm: 12.3)
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).

PI(16:0/16:0)

Formula: C41H79O13P (810.5258)
Adducts: [M-H2O+NH4]+ (Ppm: 13.5)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description