M/Z: 529.0329
Hit 1 annotations: 3-[(2e)-2-[(sulfooxy)imino]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethyl]indole-1-sulfonic acid_[M+H]+
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 529.0329
| NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
|---|---|---|---|---|---|
| MSI_000017483 Unreliable | 529.0331 | 529.0331 ~ 529.0331 MzDiff: none |
3-[(2e)-2-[(sulfooxy)imino]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethyl]indole-1-sulfonic acid (BioDeep_00002234405) Formula: C16H20N2O12S3 (528.0178) |
2.24 (100%) | Vitis vinifera [PO:0009087] mesocarp |
| MSI_000016094 Unreliable | 529.0255 | 529.0255 ~ 529.0255 MzDiff: none |
Sanguisorbic acid (BioDeep_00000312577) Formula: C21H14O15 (506.0333) |
2.51 (100%) | Vitis vinifera [PO:0009085] exocarp |
| MSI_000016333 Unreliable | 529.0329 | 529.0328 ~ 529.0329 MzDiff: 0.6 ppm |
3-[(2e)-2-[(sulfooxy)imino]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethyl]indole-1-sulfonic acid (BioDeep_00002234405) Formula: C16H20N2O12S3 (528.0178) |
1.58 (100%) | Vitis vinifera [PO:0009086] endocarp |
Found 2 Sample Hits
| Metabolite | Species | Sample | |
|---|---|---|---|
| 3-[(2e)-2-[(sulfooxy)imino]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethyl]indole-1-sulfonic acid Formula: C16H20N2O12S3 (528.0178) Adducts: [M+H]+ (Ppm: 14.7) |
Vitis vinifera (Fruit) |
grape_dhb_91_1Resolution: 50μm, 120x114
Grape berries fruit, condition: Ripe |
|
| 3-[(2e)-2-[(sulfooxy)imino]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethyl]indole-1-sulfonic acid Formula: C16H20N2O12S3 (528.0178) Adducts: [M+H]+ (Ppm: 14.5) |
Vitis vinifera (Fruit) |
grape_dhb_164_1Resolution: 17μm, 136x122
Grape berries fruit, condition: Late |
|
