M/Z: 517.0037


Hit 1 annotations:  {5-[(2r,3r)-5,7-dihydroxy-4-oxo-3-(3,4,5-trihydroxybenzoyloxy)-2,3-dihydro-1-benzopyran-2-yl]-2,3-dihydroxyphenyl}oxidanesulfonic acid_[M+H-2H2O]+


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 6 Reference Ions Near m/z 517.0037
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000016254 Unreliable 517.0037 517.0037 ~ 517.0037
MzDiff: 0.3 ppm		 {5-[(2r,3r)-5,7-dihydroxy-4-oxo-3-(3,4,5-trihydroxybenzoyloxy)-2,3-dihydro-1-benzopyran-2-yl]-2,3-dihydroxyphenyl}oxidanesulfonic acid (BioDeep_00002213056)
Formula: C22H16O15S (552.021)		 2.1 (100%) Vitis vinifera
[PO:0009085] exocarp
MSI_000032369 Unreliable 516.994 516.994 ~ 516.994
MzDiff: none		 (2s)-2-[(2r)-butan-2-yl]-n-[(1z)-2-(5,6-dibromo-1h-indol-3-yl)ethenyl]-4-methyl-5-oxo-1h-imidazole-2-carboximidic acid (BioDeep_00002166074)
Formula: C19H20Br2N4O2 (493.9953)		 1.49 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000013379 Unreliable 516.995 516.995 ~ 516.995
MzDiff: none		 Phosphatidylinositol 4,5-diphosphate (BioDeep_00000179595)
Formula: C9H21O17P3 (493.9992)		 1.32 (100%) Plant
[PO:0005417] phloem
MSI_000014963 Unavailable 516.995 516.995 ~ 516.995
MzDiff: none		 Phosphatidylinositol 4,5-diphosphate (BioDeep_00000179595)
Formula: C9H21O17P3 (493.9992)		 -0.5 (100%) Plant
[PO:0006036] root epidermis
MSI_000019038 Unavailable 516.995 516.995 ~ 516.995
MzDiff: none		 Phosphatidylinositol 4,5-diphosphate (BioDeep_00000179595)
Formula: C9H21O17P3 (493.9992)		 -0.51 (100%) Plant
[PO:0020124] root stele
MSI_000019383 Unreliable 516.995 516.995 ~ 516.995
MzDiff: none		 Phosphatidylinositol 4,5-diphosphate (BioDeep_00000179595)
Formula: C9H21O17P3 (493.9992)		 0.76 (100%) Plant
[PO:0025197] stele

Found 2 Sample Hits
Metabolite Species Sample
{5-[(2r,3r)-5,7-dihydroxy-4-oxo-3-(3,4,5-trihydroxybenzoyloxy)-2,3-dihydro-1-benzopyran-2-yl]-2,3-dihydroxyphenyl}oxidanesulfonic acid

Formula: C22H16O15S (552.021)
Adducts: [M+H-2H2O]+ (Ppm: 6.6) 		Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe
{5-[(2r,3r)-5,7-dihydroxy-4-oxo-3-(3,4,5-trihydroxybenzoyloxy)-2,3-dihydro-1-benzopyran-2-yl]-2,3-dihydroxyphenyl}oxidanesulfonic acid

Formula: C22H16O15S (552.021)
Adducts: [M+H-2H2O]+ (Ppm: 6.6) 		Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late