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 20 Reference Ions Near m/z 789.5032
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000046421 Reliable 789.5024 789.5024 ~ 789.5024
MzDiff: none
Kemptide (BioDeep_00000180259)
Formula: C32H61N13O9 (771.4715)
4.78 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000008877 Unreliable 789.5032 789.5032 ~ 789.5032
MzDiff: none
Not Annotated 3.23 (0%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000008891 Unreliable 789.4949 789.4949 ~ 789.4949
MzDiff: none
(2r,3r,4r)-2,3,4,5-tetrahydroxypentyl (2e,4s,5s,6e,8s,9s,10e,12s,13s,14e,16s,18s)-13-{[(2r,3s,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethylicosa-2,6,10,14-tetraenoate (BioDeep_00002134148)
Formula: C41H72O14 (788.4922)
3.22 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000501 Unavailable 789.4949 789.4949 ~ 789.4949
MzDiff: none
(2r,3r,4r)-2,3,4,5-tetrahydroxypentyl (2e,4s,5s,6e,8s,9s,10e,12s,13s,14e,16s,18s)-13-{[(2r,3s,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethylicosa-2,6,10,14-tetraenoate (BioDeep_00002134148)
Formula: C41H72O14 (788.4922)
-0.3 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000512 Unavailable 789.5032 789.5032 ~ 789.5032
MzDiff: none
Not Annotated -0.34 (0%) Mus musculus
[CL:0000066] epithelial cell
MSI_000002694 Unavailable 789.502 789.502 ~ 789.502
MzDiff: none
PA(20:2(11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000189896)
Formula: C45H73O9P (788.4992)
-0.31 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003583 Unavailable 789.502 789.502 ~ 789.502
MzDiff: none
PA(20:2(11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000189896)
Formula: C45H73O9P (788.4992)
-0.64 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000004769 Unreliable 789.502 789.502 ~ 789.502
MzDiff: none
PA(20:2(11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000189896)
Formula: C45H73O9P (788.4992)
2.15 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005754 Unavailable 789.502 789.502 ~ 789.502
MzDiff: none
PA(20:2(11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000189896)
Formula: C45H73O9P (788.4992)
-0.57 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000027759 Unreliable 789.4974 789.4974 ~ 789.4974
MzDiff: none
PA(20:2(11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000189896)
Formula: C45H73O9P (788.4992)
2.04 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000029105 Unreliable 789.51 789.51 ~ 789.51
MzDiff: none
PE-NMe(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (BioDeep_00000105625)
Formula: C44H70NO8P (771.4839)
2 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000029115 Unreliable 789.5006 789.5006 ~ 789.5006
MzDiff: none
N-di-Demethyl roxithromycin (BioDeep_00000054166)
Formula: C40H74N2O14 (806.514)
1.98 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000029757 Unavailable 789.4939 789.4939 ~ 789.4939
MzDiff: none
PA(20:2(11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000189896)
Formula: C45H73O9P (788.4992)
-0.22 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000030663 Unreliable 789.4939 789.4939 ~ 789.4939
MzDiff: none
PA(20:2(11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000189896)
Formula: C45H73O9P (788.4992)
1.3 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031217 Unreliable 789.4939 789.4939 ~ 789.4939
MzDiff: none
PA(20:2(11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000189896)
Formula: C45H73O9P (788.4992)
1.8 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000031924 Unavailable 789.5006 789.5006 ~ 789.5006
MzDiff: none
N-di-Demethyl roxithromycin (BioDeep_00000054166)
Formula: C40H74N2O14 (806.514)
-0.29 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000044529 Unavailable 789.5007 789.5007 ~ 789.5007
MzDiff: none
PA(20:2(11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000189896)
Formula: C45H73O9P (788.4992)
-0.36 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000061619 Unavailable 789.4992 789.4992 ~ 789.4992
MzDiff: none
PA(20:2(11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000189896)
Formula: C45H73O9P (788.4992)
-0.35 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000062338 Unavailable 789.4992 789.4992 ~ 789.4992
MzDiff: none
PA(20:2(11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000189896)
Formula: C45H73O9P (788.4992)
-0.35 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062773 Unavailable 789.4992 789.4992 ~ 789.4992
MzDiff: none
PA(20:2(11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000189896)
Formula: C45H73O9P (788.4992)
-0.35 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 4 Sample Hits
Metabolite Species Sample
m/z_789.5032

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.

PA(20:2(11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C45H73O9P (788.4992)
Adducts: [M+H]+ (Ppm: 5.7)
Rattus norvegicus (Brain)
Spectroswiss - sol_2x_br_2
Resolution: 17μm, 488x193

Description

N-di-Demethyl roxithromycin

Formula: C40H74N2O14 (806.514)
Adducts: [M+H-H2O]+ (Ppm: 12.8)
Macropus giganteus (Brain)
170321_kangaroobrain-dan3-pos_maxof50.0_med1
Resolution: 50μm, 81x50

Description

Sample information Organism: Macropus giganteus (kangaroo) Organism part: Brain Condition: Wildtype Sample growth conditions: Wild

Kemptide

Formula: C32H61N13O9 (771.4715)
Adducts: [M+NH4]+ (Ppm: 3.7)
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.