M/Z: 596.109


Hit 1 annotations:  [(z)-[2-(4-{[(2s,3s,4r,5r,6s)-5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}phenyl)-1-{[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid_[M+H-H2O]+


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 2 Reference Ions Near m/z 596.109
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000015992 Unreliable 596.1091 596.109 ~ 596.1092
MzDiff: 0.8 ppm		 [(z)-[2-(4-{[(2s,3s,4r,5r,6s)-5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}phenyl)-1-{[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid (BioDeep_00002076470)
Formula: C22H31NO15S2 (613.1135)		 2.88 (100%) Vitis vinifera
[PO:0009085] exocarp
MSI_000004157 Unreliable 596.1029 596.1029 ~ 596.1029
MzDiff: none		 8-Anilino-5-(4-anilino-5-sulfonaphthalen-1-yl)naphthalene-1-sulfonic acid (BioDeep_00000175014)
Formula: C32H24N2O6S2 (596.1076)		 0.96 (100%) Homo sapiens
[UBERON:0002107] liver

Found 2 Sample Hits
Metabolite Species Sample
[(z)-[2-(4-{[(2s,3s,4r,5r,6s)-5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}phenyl)-1-{[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid

Formula: C22H31NO15S2 (613.1135)
Adducts: [M+H-H2O]+ (Ppm: 2) 		Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe
[(z)-[2-(4-{[(2s,3s,4r,5r,6s)-5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}phenyl)-1-{[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid

Formula: C22H31NO15S2 (613.1135)
Adducts: [M+H-H2O]+ (Ppm: 1.7) 		Vitis vinifera (Fruit)
grape_dhb_164_1
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late