M/Z: 633.0599
Hit 5 annotations: (1r,8s,9s,12r)-12-[(4-hydroxyphenyl)methyl]-18-methyl-11,17-dioxo-5-oxa-13,14,15,16-tetrathia-10,18-diazatetracyclo[10.4.2.0¹,¹⁰.0³,⁹]octadeca-3,6-dien-8-yl 3-hydroxy-4-methoxybenzoate_[M+H]+; [4-(8-{5-[carboxy(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxofuran-3-yl}-5,6-dioxonaphthalen-2-yl)-3-hydroxy-5-oxofuran-2-ylidene](4-hydroxyphenyl)acetic acid_[M+H-H2O]+; 5-bromo-n-{[(5r,6s,7s)-6-{[(4-bromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl]methyl}-1-methylpyrrole-2-carboxamide_[M+H]+; Bisnorbadioquinone A_[M+H-H2O]+; Vescalin_[M+H]+
- 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 633.0599
| NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
|---|---|---|---|---|---|
| MSI_000016271 Unreliable | 633.0607 | 633.0606 ~ 633.0608 MzDiff: 1.1 ppm |
(1r,8s,9s,12r)-12-[(4-hydroxyphenyl)methyl]-18-methyl-11,17-dioxo-5-oxa-13,14,15,16-tetrathia-10,18-diazatetracyclo[10.4.2.0¹,¹⁰.0³,⁹]octadeca-3,6-dien-8-yl 3-hydroxy-4-methoxybenzoate (BioDeep_00002069420) Formula: C27H24N2O8S4 (632.0415) |
2.06 (50%) | Vitis vinifera [PO:0009085] exocarp |
| MSI_000025185 Unreliable | 633.0526 | 633.0526 ~ 633.0526 MzDiff: none |
Not Annotated | 1.7 (0%) | Mus musculus [UBERON:0004269] upper arm connective tissue |
| MSI_000039928 Unreliable | 633.0644 | 633.0644 ~ 633.0644 MzDiff: none |
5-bromo-n-{[(5r,6s,7s)-6-{[(4-bromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl]methyl}-1-methylpyrrole-2-carboxamide (BioDeep_00002194967) Formula: C23H26Br2N10O2 (632.0607) |
0.44 (100%) | Posidonia oceanica [PO:0005417] phloem |
Found 5 Sample Hits
| Metabolite | Species | Sample | |
|---|---|---|---|
| (1r,8s,9s,12r)-12-[(4-hydroxyphenyl)methyl]-18-methyl-11,17-dioxo-5-oxa-13,14,15,16-tetrathia-10,18-diazatetracyclo[10.4.2.0¹,¹⁰.0³,⁹]octadeca-3,6-dien-8-yl 3-hydroxy-4-methoxybenzoate Formula: C27H24N2O8S4 (632.0415) Adducts: [M+H]+ (Ppm: 18.9) |
Vitis vinifera (Fruit) |
grape_dhb_164_1Resolution: 17μm, 136x122
Grape berries fruit, condition: Late |
|
| [4-(8-{5-[carboxy(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxofuran-3-yl}-5,6-dioxonaphthalen-2-yl)-3-hydroxy-5-oxofuran-2-ylidene](4-hydroxyphenyl)acetic acid Formula: C34H18O14 (650.0697) Adducts: [M+H-H2O]+ (Ppm: 9.1) |
Vitis vinifera (Fruit) |
grape_dhb_163_1Resolution: 17μm, 132x115
Grape berries fruit, condition: Late |
|
| 5-bromo-n-{[(5r,6s,7s)-6-{[(4-bromo-1h-pyrrol-2-yl)formamido]methyl}-2-imino-7-(2-imino-1,3-dihydroimidazol-4-yl)-1,3,4,5,6,7-hexahydro-1,3-benzodiazol-5-yl]methyl}-1-methylpyrrole-2-carboxamide Formula: C23H26Br2N10O2 (632.0607) Adducts: [M+H]+ (Ppm: 5.5) |
Posidonia oceanica (root) |
20190613_MS1_A19r-18Resolution: 17μm, 246x264
|
|
| Bisnorbadioquinone A Formula: C34H18O14 (650.0697) Adducts: [M+H-H2O]+ (Ppm: 8) |
Mytilus edulis (mantle) |
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210Resolution: 10μm, 270x210
|
|
| Vescalin Formula: C27H20O18 (632.065) Adducts: [M+H]+ (Ppm: 19.5) |
Mytilus edulis (gill) |
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210Resolution: 11μm, 305x210
single cell layer |
|
