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 620.0725
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000017429 Reliable 620.0726 620.0725 ~ 620.0727
MzDiff: 0.9 ppm
{8-[(2r,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl}oxidanesulfonic acid (BioDeep_00002090364)
Formula: C30H20O13S (620.0625)
2.43 (100%) Vitis vinifera
[PO:0009087] mesocarp
MSI_000015845 Reliable 620.0787 620.0784 ~ 620.0789
MzDiff: 1.9 ppm
{8-[(2r,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl}oxidanesulfonic acid (BioDeep_00002090364)
Formula: C30H20O13S (620.0625)
3.24 (100%) Vitis vinifera
[PO:0009085] exocarp
MSI_000016814 Unavailable 620.0726 620.0725 ~ 620.0727
MzDiff: 0.9 ppm
{8-[(2r,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl}oxidanesulfonic acid (BioDeep_00002090364)
Formula: C30H20O13S (620.0625)
-0.05 (100%) Vitis vinifera
[PO:0009086] endocarp

Found 3 Sample Hits
Metabolite Species Sample
{8-[(2r,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl}oxidanesulfonic acid

Formula: C30H20O13S (620.0625)
Adducts: [M]+ (Ppm: 17.4)
Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe

{8-[(2r,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl}oxidanesulfonic acid

Formula: C30H20O13S (620.0625)
Adducts: [M]+ (Ppm: 17.1)
Vitis vinifera (Fruit)
grape_dhb_164_1
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late

{8-[(2r,3s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-3-yl]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl}oxidanesulfonic acid

Formula: C30H20O13S (620.0625)
Adducts: [M]+ (Ppm: 17.4)
Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late