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 804.4989
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006406 Reliable 804.4946 804.4943 ~ 804.4948
MzDiff: 2.1 ppm
Tacrolimus (BioDeep_00000000218)
Formula: C44H69NO12 (803.482)
8.75 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000060333 Unreliable 804.4936 804.4933 ~ 804.494
MzDiff: 3.0 ppm
Tacrolimus (BioDeep_00000000218)
Formula: C44H69NO12 (803.482)
3.8 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000061530 Unavailable 804.4958 804.4958 ~ 804.4958
MzDiff: 0.2 ppm
Tacrolimus (BioDeep_00000000218)
Formula: C44H69NO12 (803.482)
-0.44 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000021469 Unreliable 804.4989 804.4989 ~ 804.4989
MzDiff: none
Majonoside R2 (BioDeep_00000019821)
Formula: C41H70O14 (786.4765)
0.89 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000021673 Unreliable 804.4921 804.4921 ~ 804.4921
MzDiff: none
Tacrolimus (BioDeep_00000000218)
Formula: C44H69NO12 (803.482)
0.75 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000062594 Unreliable 804.4958 804.4958 ~ 804.4958
MzDiff: 0.2 ppm
Tacrolimus (BioDeep_00000000218)
Formula: C44H69NO12 (803.482)
2.47 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000002644 Unavailable 804.4942 804.4942 ~ 804.4942
MzDiff: none
Tacrolimus (BioDeep_00000000218)
Formula: C44H69NO12 (803.482)
-0.04 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003388 Unavailable 804.4942 804.4942 ~ 804.4942
MzDiff: none
Tacrolimus (BioDeep_00000000218)
Formula: C44H69NO12 (803.482)
-0.35 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000004781 Unreliable 804.4942 804.4942 ~ 804.4942
MzDiff: none
Tacrolimus (BioDeep_00000000218)
Formula: C44H69NO12 (803.482)
2.07 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005860 Unavailable 804.4942 804.4942 ~ 804.4942
MzDiff: none
Tacrolimus (BioDeep_00000000218)
Formula: C44H69NO12 (803.482)
-0.77 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000023154 Unreliable 804.4921 804.4921 ~ 804.4921
MzDiff: none
Tacrolimus (BioDeep_00000000218)
Formula: C44H69NO12 (803.482)
0.52 (100%) Mus musculus
[UBERON:0004250] upper arm bone
MSI_000029381 Unreliable 804.4952 804.4952 ~ 804.4952
MzDiff: none
PE(16:1(9Z)/6 keto-PGF1alpha) (BioDeep_00000186010)
Formula: C41H74NO12P (803.4948)
1.09 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000029964 Unavailable 804.5037 804.5037 ~ 804.5037
MzDiff: none
PE(18:2(9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000186474)
Formula: C45H74NO9P (803.5101)
-0.38 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000031868 Unavailable 804.5037 804.5037 ~ 804.5037
MzDiff: none
PE(18:2(9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000186474)
Formula: C45H74NO9P (803.5101)
-0.24 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000031884 Unavailable 804.4952 804.4952 ~ 804.4952
MzDiff: none
PE(16:1(9Z)/6 keto-PGF1alpha) (BioDeep_00000186010)
Formula: C41H74NO12P (803.4948)
-0.25 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000044220 Unreliable 804.494 804.494 ~ 804.494
MzDiff: none
Tacrolimus (BioDeep_00000000218)
Formula: C44H69NO12 (803.482)
0.61 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000049762 Unreliable 804.4936 804.4936 ~ 804.4936
MzDiff: none
Tacrolimus (BioDeep_00000000218)
Formula: C44H69NO12 (803.482)
1.58 (100%) Mytilus edulis
[UBERON:0009120] gill filament
MSI_000050865 Unreliable 804.4936 804.4936 ~ 804.4936
MzDiff: none
Tacrolimus (BioDeep_00000000218)
Formula: C44H69NO12 (803.482)
0.76 (100%) Mytilus edulis
[UBERON:2001856] gill ray
MSI_000059296 Unavailable 804.4933 804.4933 ~ 804.4933
MzDiff: none
Tacrolimus (BioDeep_00000000218)
Formula: C44H69NO12 (803.482)
-1.13 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000059681 Unreliable 804.4933 804.4933 ~ 804.4933
MzDiff: none
Tacrolimus (BioDeep_00000000218)
Formula: C44H69NO12 (803.482)
0.78 (100%) Mus musculus
[UBERON:0002298] brainstem

Found 9 Sample Hits
Metabolite Species Sample
Tacrolimus

Formula: C44H69NO12 (803.482)
Adducts: [M+H]+ (Ppm: 6.2)
Rattus norvegicus (Brain)
Spectroswiss - sol_2x_br_2
Resolution: 17μm, 488x193

Description

Majonoside R2

Formula: C41H70O14 (786.4765)
Adducts: [M+NH4]+ (Ppm: 14.2)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

PG(a-15:0/PGE2)

Formula: C41H73O13P (804.4789)
Adducts: [M-H2O+NH4]+ (Ppm: 5.7)
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.

Tacrolimus

Formula: C44H69NO12 (803.482)
Adducts: [M+H]+ (Ppm: 7.7)
Mus musculus (Lung)
image5
Resolution: 40μm, 163x183

Description

Supplementary Figure S8. MALDI-MSI data of mouse lung tissue administered with D9-choline and U 13C-DPPC–containing Poractant alfa surfactant (labels administered 18 h prior to sacrifice). 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-DPPC+Na]+ (red) and [D9-PC32:0+Na]+ (green). Parts per million (ppm) mass errors are indicated in parentheses. All images were visualised using totalion-current normalisation and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0.

Tacrolimus

Formula: C44H69NO12 (803.482)
Adducts: [M+H]+ (Ppm: 8.9)
Mus musculus (Lung)
image2
Resolution: 40μm, 550x256

Description

Supplementary Figure S6. Ion distribution images for (a) [PC36:4+Na]+ (m/z 804.5514) and (b) [PC38:6+Na]+ (m/z 828.5515) obtained from mouse lung tissue collected 6 h after administration of D9- choline and U13C-DPPC–containing CHF5633. Parts-per-million (ppm) mass errors are indicated in parentheses. (c) Magnification of the boxed region in (a) with selected bronchiolar regions outlined in white boxes. (d) The corresponding H&E-stained tissue section with the same selected bronchiolar regions outlined in black boxes. These data demonstrate the co-localisation of the polyunsaturated lipids PC36:4 and PC38:6 with the bronchiolar regions of the lung. All MSI images were visualised using total ion current normalisation and hotspot removal (high quantile = 99%).

PE(16:1(9Z)/6 keto-PGF1alpha)

Formula: C41H74NO12P (803.4948)
Adducts: [M+H]+ (Ppm: 8.6)
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

Tacrolimus

Formula: C44H69NO12 (803.482)
Adducts: [M+H]+ (Ppm: 0.2)
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.

Tacrolimus

Formula: C44H69NO12 (803.482)
Adducts: [M+H]+ (Ppm: 5.4)
Mytilus edulis (gill)
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210
Resolution: 11μm, 305x210

Description

single cell layer class_4 is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell

Tacrolimus

Formula: C44H69NO12 (803.482)
Adducts: [M+H]+ (Ppm: 4.8)
Mus musculus (brain)
Brain02_Bregma-3-88
Resolution: 17μm, 288x282

Description