M/Z: 622.0885
Hit 3 annotations: [(4r,5s,7r,8s,11r,12r,20s)-16,17,20-trihydroxy-7-(hydroxymethyl)-2,10,13-trioxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,14-tetraoxatetracyclo[10.6.1.1⁴,⁸.0¹⁵,¹⁹]icosa-1(18),15(19),16-trien-11-yl]acetic acid_[M]+; 3-[2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-oxofuro[3,2-c]pyran-3-yl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione_[M-H2O+NH4]+; methyl (1s,7s,8r,17r)-4-chloro-8,13,15,20,22,25-hexahydroxy-29-methyl-11,18,27-trioxo-6-oxaheptacyclo[15.10.2.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶]nonacosa-3(16),4,12,14,19,21,23,25,28-nonaene-7-carboxylate_[M]+
- 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 622.0885
| NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
|---|---|---|---|---|---|
| MSI_000017452 Reliable | 622.0885 | 622.0884 ~ 622.0885 MzDiff: 0.6 ppm |
methyl (1s,7s,8r,17r)-4-chloro-8,13,15,20,22,25-hexahydroxy-29-methyl-11,18,27-trioxo-6-oxaheptacyclo[15.10.2.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶]nonacosa-3(16),4,12,14,19,21,23,25,28-nonaene-7-carboxylate (BioDeep_00002057508) Formula: C31H23ClO12 (622.0878) |
2.34 (44%) | Vitis vinifera [PO:0009087] mesocarp |
| MSI_000016756 Unreliable | 622.0884 | 622.0884 ~ 622.0885 MzDiff: 0.6 ppm |
[(4r,5s,7r,8s,11r,12r,20s)-16,17,20-trihydroxy-7-(hydroxymethyl)-2,10,13-trioxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,14-tetraoxatetracyclo[10.6.1.1⁴,⁸.0¹⁵,¹⁹]icosa-1(18),15(19),16-trien-11-yl]acetic acid (BioDeep_00002084371) Formula: C26H22O18 (622.0806) |
0.07 (50%) | Vitis vinifera [PO:0009086] endocarp |
Found 4 Sample Hits
| Metabolite | Species | Sample | |
|---|---|---|---|
| [(4r,5s,7r,8s,11r,12r,20s)-16,17,20-trihydroxy-7-(hydroxymethyl)-2,10,13-trioxo-5-(3,4,5-trihydroxybenzoyloxy)-3,6,9,14-tetraoxatetracyclo[10.6.1.1⁴,⁸.0¹⁵,¹⁹]icosa-1(18),15(19),16-trien-11-yl]acetic acid Formula: C26H22O18 (622.0806) Adducts: [M]+ (Ppm: 13.6) |
Vitis vinifera (Fruit) |
grape_dhb_91_1Resolution: 50μm, 120x114
Grape berries fruit, condition: Ripe |
|
| 3-[2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-oxofuro[3,2-c]pyran-3-yl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione Formula: C33H18O13 (622.0747) Adducts: [M-H2O+NH4]+ (Ppm: 15.4) |
Vitis vinifera (Fruit) |
grape_dhb_164_1Resolution: 17μm, 136x122
Grape berries fruit, condition: Late |
|
| methyl (1s,7s,8r,17r)-4-chloro-8,13,15,20,22,25-hexahydroxy-29-methyl-11,18,27-trioxo-6-oxaheptacyclo[15.10.2.0¹,¹⁹.0³,¹⁶.0⁵,¹⁴.0⁷,¹².0²¹,²⁶]nonacosa-3(16),4,12,14,19,21,23,25,28-nonaene-7-carboxylate Formula: C31H23ClO12 (622.0878) Adducts: [M]+ (Ppm: 2) |
Vitis vinifera (Fruit) |
grape_dhb_163_1Resolution: 17μm, 132x115
Grape berries fruit, condition: Late |
|
| m/z_622.0874 Formula: - (n/a) Adducts: (Ppm: 0) |
Mus musculus (Lung) |
image3Resolution: 40μm, 146x190
Fig. 4 MALDI-MSI data of mouse lung tissue after administration with D9-choline and U13C-DPPC–containing Poractant alfa surfactant (labels administered 12 h prior to tissue collection). Ion images of (A) m/z 796.6856 ([U13C-DPPC+Na]+), (B) m/z 756.5154 [PC32:0+Na]+), and (C) m/z 765.6079 ([D9-PC32:0+Na]+). D: Overlay image of [U13C-PC32:0+Na]+ (red) and [D9-PC32:0+Na]+ (green). Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC. |
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