M/Z: 869.4745
Hit 4 annotations: (2s,3r,4s,5r)-2-{[(2s,3r,4s,5s)-2-{[(1s,2s,3as,3br,7s,9ar,9bs,11as)-1,7-dihydroxy-9a,11a-dimethyl-1-[(2s)-6-methyl-3-oxoheptan-2-yl]-2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl]oxy}-3-(acetyloxy)-5-hydroxyoxan-4-yl]oxy}-4,5-dihydroxyoxan-3-yl (2e)-3-phenylprop-2-enoate_[M+H]+
; PGP(a-15:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))_[M+H]+
; Lc3Cer_[M+H]+
; PI(16:2(9Z,12Z)/20:4(6E,8Z,11Z,14Z)+=O(5))_[M+H]+
- 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 14 Reference Ions Near m/z 869.4745
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000063181 Reliable | 869.4697 | 869.4695 ~ 869.4699 MzDiff: 1.7 ppm |
PGP(a-17:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000199545) Formula: C45H78O14P2 (904.4867) |
1.09 (100%) | Mus musculus [UBERON:0000956] cerebral cortex |
MSI_000061141 Unreliable | 869.4713 | 869.4711 ~ 869.4717 MzDiff: 2.5 ppm |
PI(16:2(9Z,12Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000201278) Formula: C45H73O14P (868.4738) |
3.49 (100%) | Mus musculus [UBERON:0000956] cerebral cortex |
MSI_000058831 Unreliable | 869.4695 | 869.4693 ~ 869.4696 MzDiff: 1.2 ppm |
PGP(a-17:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000199545) Formula: C45H78O14P2 (904.4867) |
1.91 (100%) | Mus musculus [UBERON:0001950] neocortex |
MSI_000060293 Unavailable | 869.4696 | 869.4693 ~ 869.4699 MzDiff: 2.1 ppm |
PGP(a-17:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000199545) Formula: C45H78O14P2 (904.4867) |
-0.31 (100%) | Mus musculus [UBERON:0002421] hippocampal formation |
MSI_000002569 Unreliable | 869.4693 | 869.4693 ~ 869.4693 MzDiff: none |
(2s,3r,4s,5r)-2-{[(2s,3r,4s,5s)-2-{[(1s,2s,3as,3br,7s,9ar,9bs,11as)-1,7-dihydroxy-9a,11a-dimethyl-1-[(2s)-6-methyl-3-oxoheptan-2-yl]-2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl]oxy}-3-(acetyloxy)-5-hydroxyoxan-4-yl]oxy}-4,5-dihydroxyoxan-3-yl (2e)-3-phenylprop-2-enoate (BioDeep_00002167495) Formula: C48H68O14 (868.4609) |
0.34 (100%) | Rattus norvegicus [UBERON:0001950] neocortex |
MSI_000003264 Unreliable | 869.4693 | 869.4693 ~ 869.4693 MzDiff: none |
(2s,3r,4s,5r)-2-{[(2s,3r,4s,5s)-2-{[(1s,2s,3as,3br,7s,9ar,9bs,11as)-1,7-dihydroxy-9a,11a-dimethyl-1-[(2s)-6-methyl-3-oxoheptan-2-yl]-2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl]oxy}-3-(acetyloxy)-5-hydroxyoxan-4-yl]oxy}-4,5-dihydroxyoxan-3-yl (2e)-3-phenylprop-2-enoate (BioDeep_00002167495) Formula: C48H68O14 (868.4609) |
0.2 (100%) | Rattus norvegicus [UBERON:0002037] cerebellum |
MSI_000005293 Unavailable | 869.4693 | 869.4693 ~ 869.4693 MzDiff: none |
(2s,3r,4s,5r)-2-{[(2s,3r,4s,5s)-2-{[(1s,2s,3as,3br,7s,9ar,9bs,11as)-1,7-dihydroxy-9a,11a-dimethyl-1-[(2s)-6-methyl-3-oxoheptan-2-yl]-2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl]oxy}-3-(acetyloxy)-5-hydroxyoxan-4-yl]oxy}-4,5-dihydroxyoxan-3-yl (2e)-3-phenylprop-2-enoate (BioDeep_00002167495) Formula: C48H68O14 (868.4609) |
-0.87 (100%) | Rattus norvegicus [UBERON:0002298] brainstem |
MSI_000005515 Unreliable | 869.4693 | 869.4693 ~ 869.4693 MzDiff: none |
(2s,3r,4s,5r)-2-{[(2s,3r,4s,5s)-2-{[(1s,2s,3as,3br,7s,9ar,9bs,11as)-1,7-dihydroxy-9a,11a-dimethyl-1-[(2s)-6-methyl-3-oxoheptan-2-yl]-2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl]oxy}-3-(acetyloxy)-5-hydroxyoxan-4-yl]oxy}-4,5-dihydroxyoxan-3-yl (2e)-3-phenylprop-2-enoate (BioDeep_00002167495) Formula: C48H68O14 (868.4609) |
1.74 (100%) | Rattus norvegicus [UBERON:0002435] striatum |
MSI_000025070 Unreliable | 869.4689 | 869.4689 ~ 869.4689 MzDiff: none |
PGP(a-15:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000199401) Formula: C41H74O15P2 (868.4503) |
1.73 (100%) | Mus musculus [UBERON:0004269] upper arm connective tissue |
MSI_000029855 Unavailable | 869.4745 | 869.4745 ~ 869.4745 MzDiff: none |
PGP(a-15:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000199401) Formula: C41H74O15P2 (868.4503) |
-0.29 (100%) | Macropus giganteus [UBERON:0002336] corpus callosum |
MSI_000029985 Unavailable | 869.4825 | 869.4825 ~ 869.4825 MzDiff: none |
Lc3Cer (BioDeep_00000055107) Formula: C40H72N2O18 (868.478) |
-0.39 (100%) | Macropus giganteus [UBERON:0002336] corpus callosum |
MSI_000044470 Unavailable | 869.469 | 869.469 ~ 869.469 MzDiff: none |
PGP(a-17:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000199545) Formula: C45H78O14P2 (904.4867) |
-0.31 (100%) | Rattus norvegicus [UBERON:0002264] olfactory bulb |
MSI_000060170 Unavailable | 869.4693 | 869.4693 ~ 869.4693 MzDiff: none |
PGP(a-17:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000199545) Formula: C45H78O14P2 (904.4867) |
-1.13 (100%) | Mus musculus [UBERON:0002298] brainstem |
MSI_000062179 Unreliable | 869.4717 | 869.4717 ~ 869.4717 MzDiff: none |
PI(16:2(9Z,12Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000201278) Formula: C45H73O14P (868.4738) |
0.32 (100%) | Mus musculus [UBERON:0001950] neocortex |
Found 6 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
(2s,3r,4s,5r)-2-{[(2s,3r,4s,5s)-2-{[(1s,2s,3as,3br,7s,9ar,9bs,11as)-1,7-dihydroxy-9a,11a-dimethyl-1-[(2s)-6-methyl-3-oxoheptan-2-yl]-2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl]oxy}-3-(acetyloxy)-5-hydroxyoxan-4-yl]oxy}-4,5-dihydroxyoxan-3-yl (2e)-3-phenylprop-2-enoate Formula: C48H68O14 (868.4609) Adducts: [M+H]+ (Ppm: 1.3) |
Rattus norvegicus (Brain) |
Spectroswiss - sol_2x_br_2Resolution: 17μm, 488x193
|
|
PGP(a-15:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) Formula: C41H74O15P2 (868.4503) Adducts: [M+H]+ (Ppm: 13.1) |
Mus musculus (Left upper arm) |
357_l_total ion countResolution: 50μm, 97x131
Diseased |
|
PGP(a-15:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) Formula: C41H74O15P2 (868.4503) Adducts: [M+H]+ (Ppm: 19.5) |
Macropus giganteus (Brain) |
170321_kangaroobrain-dan3-pos_maxof50.0_med1Resolution: 50μm, 81x50
Sample information
Organism: Macropus giganteus (kangaroo)
Organism part: Brain
Condition: Wildtype
Sample growth conditions: Wild |
|
Lc3Cer Formula: C40H72N2O18 (868.478) Adducts: [M+H]+ (Ppm: 18.1) |
Mus musculus (Liver) |
Salmonella_final_pos_recalResolution: 17μm, 691x430
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. |
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PI(16:2(9Z,12Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) Formula: C45H73O14P (868.4738) Adducts: [M+H]+ (Ppm: 10.7) |
Mus musculus (brain) |
Brain01_Bregma1-42_02_centroidResolution: 17μm, 434x258
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PI(16:2(9Z,12Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) Formula: C45H73O14P (868.4738) Adducts: [M+H]+ (Ppm: 11.4) |
Mus musculus (brain) |
Brain01_Bregma1-42_01_centroidResolution: 17μm, 447x118
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