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 825.5377
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043699 Unreliable 825.5451 825.5451 ~ 825.5451
MzDiff: none
Not Annotated 1.35 (0%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000007412 Unreliable 825.5409 825.5409 ~ 825.541
MzDiff: 0.4 ppm
PA(22:1(13Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000190720)
Formula: C45H77O11P (824.5203)
3.69 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000009015 Unreliable 825.5288 825.5288 ~ 825.5288
MzDiff: none
PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000187618)
Formula: C47H72NO9P (825.4944)
3.15 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009074 Unreliable 825.5377 825.5377 ~ 825.5377
MzDiff: none
PI(18:1/18:2) (BioDeep_00002004096)
Formula: C45H81O13P (860.5415)
3.1 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009089 Unreliable 825.5466 825.5466 ~ 825.5466
MzDiff: none
PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018558)
Formula: C44H74NO10P (807.505)
3.09 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000796 Unavailable 825.5288 825.5288 ~ 825.5288
MzDiff: none
PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000187618)
Formula: C47H72NO9P (825.4944)
-0.6 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000811 Unavailable 825.5377 825.5377 ~ 825.5377
MzDiff: none
PI(18:1/18:2) (BioDeep_00002004096)
Formula: C45H81O13P (860.5415)
-0.61 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000816 Unavailable 825.5466 825.5466 ~ 825.5466
MzDiff: none
PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018558)
Formula: C44H74NO10P (807.505)
-0.61 (100%) Mus musculus
[CL:0000066] epithelial cell

Found 4 Sample Hits
Metabolite Species Sample
PI(18:1/18:2)

Formula: C45H81O13P (860.5415)
Adducts: [M+H-2H2O]+ (Ppm: 12.2)
Mus musculus (Urinary bladder)
HR2MSI_mouse_urinary_bladder - S096
Resolution: 10μm, 260x134

Description

Mass spectrometry imaging of phospholipids in mouse urinary bladder (imzML dataset)
The spatial distribution of phospholipids in a tissue section of mouse urinary bladder was analyzed by MALDI MS imaging at 10 micrometer pixel size with high mass resolution (using an LTQ Orbitrap mass spectrometer).

R, ö, mpp A, Guenther S, Schober Y, Schulz O, Takats Z, Kummer W, Spengler B, Histology by mass spectrometry: label-free tissue characterization obtained from high-accuracy bioanalytical imaging. Angew Chem Int Ed Engl, 49(22):3834-8(2010)

Fig. S2: Single ion images of compounds shown in Fig. 1A-B : (upper left to lower right) m/z = 743.5482 (unknown), m/z = 741.5307 (SM (16:0), [M+K]+), m/z = 798.5410 (PC (34:1), [M+K]+), m/z = 616.1767 (heme b, M+), m/z = 772.5253 (PC (32:0), [M+K]+).

Stability of determined mass values was in the range of +/- 1 ppm over 22 hours of measurement (Fig. S4), with a standard deviation of 0.56 ppm. Accuracy data were obtained during tissue scanning experiments by monitoring the mass signal at nominal mass 798. The internal lock mass function of the Orbitrap instrument was used for automatic calibration during imaging measurements, using the known matrix-related ion signals at m/z = 137.0233, m/z = 444.0925 and m/z = 716.1246.

PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C44H74NO10P (807.505)
Adducts: [M+NH4]+ (Ppm: 11.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

PA(22:1(13Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C45H77O11P (824.5203)
Adducts: [M+H]+ (Ppm: 16.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

PA(22:1(13Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C45H77O11P (824.5203)
Adducts: [M+H]+ (Ppm: 1.7)
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.