M/Z: 554.0223
Hit 2 annotations: 16-chloro-17-(dichloromethyl)-4,10-dihydroxy-6,15-dimethoxy-6-methyl-7-oxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(21),3,5(9),10,13,15,17,19-octaene-2,8,12-trione_[M+NH4]+; 1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide_[M]+
- 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 5 Reference Ions Near m/z 554.0223
| NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
|---|---|---|---|---|---|
| MSI_000017900 Reliable | 554.0223 | 554.0223 ~ 554.0223 MzDiff: 0.2 ppm |
16-chloro-17-(dichloromethyl)-4,10-dihydroxy-6,15-dimethoxy-6-methyl-7-oxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(21),3,5(9),10,13,15,17,19-octaene-2,8,12-trione (BioDeep_00002243619) Formula: C24H15Cl3O8 (535.9832) |
1.11 (100%) | Vitis vinifera [PO:0009087] mesocarp |
| MSI_000024617 Unreliable | 554.0132 | 554.0132 ~ 554.0132 MzDiff: none |
N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)octane-1-sulfonamide (BioDeep_00000172952) Formula: C12H10F17NO3S (571.011) |
1.78 (100%) | Mus musculus [UBERON:0004269] upper arm connective tissue |
| MSI_000025018 Unreliable | 554.0287 | 554.0287 ~ 554.0287 MzDiff: none |
1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide (BioDeep_00000002560) Formula: C22H21Cl2IN4O (554.0137) |
1.74 (100%) | Mus musculus [UBERON:0004269] upper arm connective tissue |
| MSI_000049533 Unreliable | 554.0245 | 554.0245 ~ 554.0245 MzDiff: none |
16-chloro-17-(dichloromethyl)-4,10-dihydroxy-6,15-dimethoxy-6-methyl-7-oxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(21),3,5(9),10,13,15,17,19-octaene-2,8,12-trione (BioDeep_00002243619) Formula: C24H15Cl3O8 (535.9832) |
2.04 (100%) | Mytilus edulis [UBERON:0009120] gill filament |
| MSI_000050994 Unreliable | 554.0245 | 554.0245 ~ 554.0245 MzDiff: none |
16-chloro-17-(dichloromethyl)-4,10-dihydroxy-6,15-dimethoxy-6-methyl-7-oxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(21),3,5(9),10,13,15,17,19-octaene-2,8,12-trione (BioDeep_00002243619) Formula: C24H15Cl3O8 (535.9832) |
0.38 (100%) | Mytilus edulis [UBERON:2001856] gill ray |
Found 6 Sample Hits
| Metabolite | Species | Sample | |
|---|---|---|---|
| 16-chloro-17-(dichloromethyl)-4,10-dihydroxy-6,15-dimethoxy-6-methyl-7-oxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(21),3,5(9),10,13,15,17,19-octaene-2,8,12-trione Formula: C24H15Cl3O8 (535.9832) Adducts: [M+NH4]+ (Ppm: 9.4) |
Vitis vinifera (Fruit) |
grape_dhb_91_1Resolution: 50μm, 120x114
Grape berries fruit, condition: Ripe |
|
| 16-chloro-17-(dichloromethyl)-4,10-dihydroxy-6,15-dimethoxy-6-methyl-7-oxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(21),3,5(9),10,13,15,17,19-octaene-2,8,12-trione Formula: C24H15Cl3O8 (535.9832) Adducts: [M+NH4]+ (Ppm: 9.4) |
Vitis vinifera (Fruit) |
grape_dhb_164_1Resolution: 17μm, 136x122
Grape berries fruit, condition: Late |
|
| 16-chloro-17-(dichloromethyl)-4,10-dihydroxy-6,15-dimethoxy-6-methyl-7-oxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(21),3,5(9),10,13,15,17,19-octaene-2,8,12-trione Formula: C24H15Cl3O8 (535.9832) Adducts: [M+NH4]+ (Ppm: 9.4) |
Vitis vinifera (Fruit) |
grape_dhb_163_1Resolution: 17μm, 132x115
Grape berries fruit, condition: Late |
|
| 1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide Formula: C22H21Cl2IN4O (554.0137) Adducts: [M]+ (Ppm: 15.8) |
Mus musculus (Lung) |
image4Resolution: 40μm, 162x156
Fig 6c
Fig. 6 MALDI-MSI of U13C-PC16:0/16:0 acyl chain remodeling. A: Averaged MALDI mass spectrum from lung tissue collected from mice euthanized 12 h after administration of D9-choline and U13C-DPPC–containing Poractant alfa surfactant. The ion at m/z 828.6321 is assigned as the [M+Na]+ ion of 13C24-PC16:0_20:4 formed by acyl remodeling of U13C-PC16:0/16:0. The “NL” value refers to the intensity of the base peak in the full range MS1 spectrum. B: MS/MS spectrum of precursor ions at m/z 828.5 ± 0.5 with fragment ions originating from [13C24-PC16:0_20:4+Na]+ annotated. Part-per-million (ppm) mass errors are provided in parentheses. C, D: MALDI-MSI data of [U13C-DPPC+Na]+ (blue), [PC36:4+Na]+ (green) and [13C24-PC16:0_20:4+Na]+ (red) in lung tissue collected from mice (C) 12 h and (D) 18 h after label administration. All images were visualized using total-ion-current normalization and hotspot removal (high quantile = 99%). MS/MS, tandem mass spectrometry; MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC. |
|
| 16-chloro-17-(dichloromethyl)-4,10-dihydroxy-6,15-dimethoxy-6-methyl-7-oxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(21),3,5(9),10,13,15,17,19-octaene-2,8,12-trione Formula: C24H15Cl3O8 (535.9832) Adducts: [M+NH4]+ (Ppm: 14.7) |
Mytilus edulis (mantle) |
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210Resolution: 10μm, 270x210
|
|
| 16-chloro-17-(dichloromethyl)-4,10-dihydroxy-6,15-dimethoxy-6-methyl-7-oxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-1(21),3,5(9),10,13,15,17,19-octaene-2,8,12-trione Formula: C24H15Cl3O8 (535.9832) Adducts: [M+NH4]+ (Ppm: 13.4) |
Mytilus edulis (gill) |
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210Resolution: 11μm, 305x210
single cell layer |
|
