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 555.0696
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000016309 Unreliable 555.0702 555.0702 ~ 555.0702
MzDiff: 0.1 ppm
[(2s,3s,5s)-4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid (BioDeep_00002297145)
Formula: C23H24O15S (572.0836)
1.98 (100%) Vitis vinifera
[PO:0009086] endocarp
MSI_000038313 Unreliable 555.0725 555.0725 ~ 555.0725
MzDiff: none
2-[(2s,6r,7r,10r)-7,15-dihydroxy-2-methyl-5,9,11-trioxo-18-(sulfooxy)-8-azapentacyclo[10.8.0.0²,¹⁰.0⁶,¹⁰.0¹⁴,¹⁹]icosa-1(20),12,14,16,18-pentaen-8-yl]ethanesulfonic acid (BioDeep_00002231455)
Formula: C22H21NO12S2 (555.0505)
1.42 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000041075 Unreliable 555.0725 555.0725 ~ 555.0725
MzDiff: none
2-[(2s,6r,7r,10r)-7,15-dihydroxy-2-methyl-5,9,11-trioxo-18-(sulfooxy)-8-azapentacyclo[10.8.0.0²,¹⁰.0⁶,¹⁰.0¹⁴,¹⁹]icosa-1(20),12,14,16,18-pentaen-8-yl]ethanesulfonic acid (BioDeep_00002231455)
Formula: C22H21NO12S2 (555.0505)
1.5 (100%) Posidonia oceanica
[PO:0006036] root epidermis

Found 5 Sample Hits
Metabolite Species Sample
[(2s,3s,5s)-4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid

Formula: C23H24O15S (572.0836)
Adducts: [M+H-H2O]+ (Ppm: 18.2)
Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe

[(2s,3s,5s)-4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid

Formula: C23H24O15S (572.0836)
Adducts: [M+H-H2O]+ (Ppm: 18.2)
Vitis vinifera (Fruit)
grape_dhb_164_1
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late

[(2s,3s,5s)-4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxy}-6-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid

Formula: C23H24O15S (572.0836)
Adducts: [M+H-H2O]+ (Ppm: 18.2)
Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late

2-[(2s,6r,7r,10r)-7,15-dihydroxy-2-methyl-5,9,11-trioxo-18-(sulfooxy)-8-azapentacyclo[10.8.0.0²,¹⁰.0⁶,¹⁰.0¹⁴,¹⁹]icosa-1(20),12,14,16,18-pentaen-8-yl]ethanesulfonic acid

Formula: C22H21NO12S2 (555.0505)
Adducts: [M-H2O+NH4]+ (Ppm: 2.3)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description

Fluralaner

Formula: C22H17Cl2F6N3O3 (555.0551)
Adducts: [M-H2O+NH4]+ (Ppm: 15.8)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description