M/Z: 616.0754
Hit 2 annotations: (1s,2r,3s,4s,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl (3r,4's,6's,7'r)-6-bromo-2,4',12',14'-tetrahydroxy-4'-methyl-2',9',11',13'-tetraazaspiro[indole-3,5'-tricyclo[8.4.0.0³,⁷]tetradecane]-1'(14'),2',10',12'-tetraene-6'-carboxylate_[M+H-2H2O]+; 2-bromo-8-[1,1-dichloro-3-hydroxy-3-(4-methyl-5-oxooxolan-2-yl)propan-2-yl]-18-hydroxy-9,13-dimethyl-17,19-dioxapentacyclo[13.3.1.0¹,¹³.0⁴,¹².0⁵,¹⁰]nonadeca-5(10),6,8-trien-11-one_[M-H2O+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 2 Reference Ions Near m/z 616.0754
| NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
|---|---|---|---|---|---|
| MSI_000017368 Reliable | 616.0755 | 616.0754 ~ 616.0755 MzDiff: 0.5 ppm |
2-bromo-8-[1,1-dichloro-3-hydroxy-3-(4-methyl-5-oxooxolan-2-yl)propan-2-yl]-18-hydroxy-9,13-dimethyl-17,19-dioxapentacyclo[13.3.1.0¹,¹³.0⁴,¹².0⁵,¹⁰]nonadeca-5(10),6,8-trien-11-one (BioDeep_00002136512) Formula: C27H31BrCl2O7 (616.063) |
2.63 (44%) | Vitis vinifera [PO:0009087] mesocarp |
| MSI_000016873 Unavailable | 616.0755 | 616.0754 ~ 616.0755 MzDiff: 0.5 ppm |
(1s,2r,3s,4s,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl (3r,4's,6's,7'r)-6-bromo-2,4',12',14'-tetrahydroxy-4'-methyl-2',9',11',13'-tetraazaspiro[indole-3,5'-tricyclo[8.4.0.0³,⁷]tetradecane]-1'(14'),2',10',12'-tetraene-6'-carboxylate (BioDeep_00002092831) Formula: C25H26BrN5O11 (651.0812) |
-0.15 (50%) | Vitis vinifera [PO:0009086] endocarp |
Found 3 Sample Hits
| Metabolite | Species | Sample | |
|---|---|---|---|
| m/z_616.0755 Formula: - (n/a) Adducts: (Ppm: 0) |
Vitis vinifera (Fruit) |
grape_dhb_91_1Resolution: 50μm, 120x114
Grape berries fruit, condition: Ripe |
|
| (1s,2r,3s,4s,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl (3r,4's,6's,7'r)-6-bromo-2,4',12',14'-tetrahydroxy-4'-methyl-2',9',11',13'-tetraazaspiro[indole-3,5'-tricyclo[8.4.0.0³,⁷]tetradecane]-1'(14'),2',10',12'-tetraene-6'-carboxylate Formula: C25H26BrN5O11 (651.0812) Adducts: [M+H-2H2O]+ (Ppm: 13.1) |
Vitis vinifera (Fruit) |
grape_dhb_164_1Resolution: 17μm, 136x122
Grape berries fruit, condition: Late |
|
| 2-bromo-8-[1,1-dichloro-3-hydroxy-3-(4-methyl-5-oxooxolan-2-yl)propan-2-yl]-18-hydroxy-9,13-dimethyl-17,19-dioxapentacyclo[13.3.1.0¹,¹³.0⁴,¹².0⁵,¹⁰]nonadeca-5(10),6,8-trien-11-one Formula: C27H31BrCl2O7 (616.063) Adducts: [M-H2O+NH4]+ (Ppm: 17.5) |
Vitis vinifera (Fruit) |
grape_dhb_163_1Resolution: 17μm, 132x115
Grape berries fruit, condition: Late |
|
