M/Z: 547.0244


Hit 1 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]+


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 3 Reference Ions Near m/z 547.0244
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)		 (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)		 (100%) Mytilus edulis
[UBERON:2001856] gill ray

Found 3 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_1
Resolution: 50μm, 120x114

Description

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_1
Resolution: 17μm, 136x122

Description

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: ) 		Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late