M/Z: 547.02
Hit 2 annotations: (20e)-4,6,23-trichloropentacyclo[20.2.2.1¹⁰,¹⁴.1¹⁵,¹⁹.0²,⁷]octacosa-1(25),2(7),3,5,10,12,14(28),15(27),16,18,20,22(26),23-tridecaene-5,13,16,24-tetrol_[M+Na]+; (3r)-4,4,4-trichloro-n,3-dimethyl-n-[(2r,4r)-5,5,5-trichloro-4-methyl-1-{[(1r)-1-(1,3-thiazol-2-yl)ethyl]amino}pentan-2-yl]butanamide_[M+NH4]+
- 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 3 Reference Ions Near m/z 547.02
| NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
|---|---|---|---|---|---|
| MSI_000015435 Reliable | 547.0242 | 547.0241 ~ 547.0244 MzDiff: 1.2 ppm |
(20e)-4,6,23-trichloropentacyclo[20.2.2.1¹⁰,¹⁴.1¹⁵,¹⁹.0²,⁷]octacosa-1(25),2(7),3,5,10,12,14(28),15(27),16,18,20,22(26),23-tridecaene-5,13,16,24-tetrol (BioDeep_00002140072) Formula: C28H19Cl3O4 (524.0349) |
4.94 (100%) | Vitis vinifera [PO:0009085] exocarp |
| MSI_000050355 Unreliable | 547.02 | 547.02 ~ 547.02 MzDiff: none |
(3r)-4,4,4-trichloro-n,3-dimethyl-n-[(2r,4r)-5,5,5-trichloro-4-methyl-1-{[(1r)-1-(1,3-thiazol-2-yl)ethyl]amino}pentan-2-yl]butanamide (BioDeep_00002269699) Formula: C17H25Cl6N3OS (528.9849) |
0 (100%) | Mytilus edulis [UBERON:0009120] gill filament |
| MSI_000051184 Unreliable | 547.02 | 547.02 ~ 547.02 MzDiff: none |
(3r)-4,4,4-trichloro-n,3-dimethyl-n-[(2r,4r)-5,5,5-trichloro-4-methyl-1-{[(1r)-1-(1,3-thiazol-2-yl)ethyl]amino}pentan-2-yl]butanamide (BioDeep_00002269699) Formula: C17H25Cl6N3OS (528.9849) |
0 (100%) | Mytilus edulis [UBERON:2001856] gill ray |
Found 4 Sample Hits
| Metabolite | Species | Sample | |
|---|---|---|---|
| (20e)-4,6,23-trichloropentacyclo[20.2.2.1¹⁰,¹⁴.1¹⁵,¹⁹.0²,⁷]octacosa-1(25),2(7),3,5,10,12,14(28),15(27),16,18,20,22(26),23-tridecaene-5,13,16,24-tetrol Formula: C28H19Cl3O4 (524.0349) Adducts: [M+Na]+ (Ppm: 0.5) |
Vitis vinifera (Fruit) |
grape_dhb_91_1Resolution: 50μm, 120x114
Grape berries fruit, condition: Ripe |
|
| (20e)-4,6,23-trichloropentacyclo[20.2.2.1¹⁰,¹⁴.1¹⁵,¹⁹.0²,⁷]octacosa-1(25),2(7),3,5,10,12,14(28),15(27),16,18,20,22(26),23-tridecaene-5,13,16,24-tetrol Formula: C28H19Cl3O4 (524.0349) Adducts: [M+Na]+ (Ppm: 0.2) |
Vitis vinifera (Fruit) |
grape_dhb_164_1Resolution: 17μm, 136x122
Grape berries fruit, condition: Late |
|
| (20e)-4,6,23-trichloropentacyclo[20.2.2.1¹⁰,¹⁴.1¹⁵,¹⁹.0²,⁷]octacosa-1(25),2(7),3,5,10,12,14(28),15(27),16,18,20,22(26),23-tridecaene-5,13,16,24-tetrol Formula: C28H19Cl3O4 (524.0349) Adducts: [M+Na]+ (Ppm: 0) |
Vitis vinifera (Fruit) |
grape_dhb_163_1Resolution: 17μm, 132x115
Grape berries fruit, condition: Late |
|
| (3r)-4,4,4-trichloro-n,3-dimethyl-n-[(2r,4r)-5,5,5-trichloro-4-methyl-1-{[(1r)-1-(1,3-thiazol-2-yl)ethyl]amino}pentan-2-yl]butanamide Formula: C17H25Cl6N3OS (528.9849) Adducts: [M+NH4]+ (Ppm: 2.3) |
Mytilus edulis (gill) |
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210Resolution: 11μm, 305x210
single cell layer |
|
