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 9 Reference Ions Near m/z 804.5736
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000020862 Reliable 804.5689 804.5689 ~ 804.569
MzDiff: 0.4 ppm
DG(21:0/LTE4/0:0) (BioDeep_00000221502)
Formula: C47H83NO8S (821.5839)
5.2 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000052414 Unreliable 804.5804 804.5804 ~ 804.5804
MzDiff: none
DG(21:0/LTE4/0:0) (BioDeep_00000221502)
Formula: C47H83NO8S (821.5839)
2.05 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000008938 Unreliable 804.5742 804.5742 ~ 804.5742
MzDiff: none
Not Annotated 3.19 (0%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000008975 Unreliable 804.5656 804.5656 ~ 804.5656
MzDiff: none
PS(15:0/22:1(13Z)) (BioDeep_00000104697)
Formula: C43H82NO10P (803.5676)
3.18 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000543 Unavailable 804.5656 804.5656 ~ 804.5656
MzDiff: none
PS(15:0/22:1(13Z)) (BioDeep_00000104697)
Formula: C43H82NO10P (803.5676)
-0.4 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000570 Unavailable 804.5742 804.5742 ~ 804.5742
MzDiff: none
Not Annotated -0.45 (0%) Mus musculus
[CL:0000066] epithelial cell
MSI_000061613 Unavailable 804.5674 804.5674 ~ 804.5674
MzDiff: none
PS(15:0/22:1(13Z)) (BioDeep_00000104697)
Formula: C43H82NO10P (803.5676)
-0.35 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000062367 Unavailable 804.5674 804.5674 ~ 804.5674
MzDiff: none
PS(15:0/22:1(13Z)) (BioDeep_00000104697)
Formula: C43H82NO10P (803.5676)
-0.35 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062771 Unavailable 804.5674 804.5674 ~ 804.5674
MzDiff: none
PS(15:0/22:1(13Z)) (BioDeep_00000104697)
Formula: C43H82NO10P (803.5676)
-0.35 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 6 Sample Hits
Metabolite Species Sample
m/z_804.5742

Formula: - (n/a)
Adducts: (Ppm: 0)
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(15:0/22:1(13Z))

Formula: C43H82NO10P (803.5676)
Adducts: [M+H]+ (Ppm: 10.3)
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.

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

Formula: C47H81O8P (804.5669)
Adducts: [M]+ (Ppm: 5.3)
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).

PS(15:0/22:1(13Z))

Formula: C43H82NO10P (803.5676)
Adducts: [M+H]+ (Ppm: 0.6)
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).

PS(15:0/22:1(13Z))

Formula: C43H82NO10P (803.5676)
Adducts: [M+H]+ (Ppm: 1.6)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PS(15:0/22:1(13Z))

Formula: C43H82NO10P (803.5676)
Adducts: [M+H]+ (Ppm: 2.6)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description