M/Z: 817.4767
Hit 4 annotations: (2r,3r,4r,5s,6s)-2-{[(1s,2s,3as,3bs,7s,9ar,9bs,10r,11as)-7,10-dihydroxy-1-[(2s,3s)-3-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl]oxy}-3-(acetyloxy)-5-hydroxy-6-methyloxan-4-yl 3,4,5-trimethoxybenzoate_[M+H]+; PA(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))_[M+H]+; Hebevinoside XII_[M+Na]+; PS(18:4(6Z,9Z,12Z,15Z)/20:4(6E,8Z,11Z,14Z)+=O(5))_[M-H2O+NH4]+
- 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 817.4767
| NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
|---|---|---|---|---|---|
| MSI_000052361 Unreliable | 817.4824 | 817.4824 ~ 817.4824 MzDiff: none |
Not Annotated | 2.14 (0%) | Homo sapiens [UBERON:0001052] rectum |
| MSI_000065812 Unreliable | 817.4751 | 817.4751 ~ 817.4751 MzDiff: none |
PA(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000191031) Formula: C45H69O11P (816.4577) |
1.15 (100%) | Homo sapiens [UBERON:0001155] colon |
Found 5 Sample Hits
| Metabolite | Species | Sample | |
|---|---|---|---|
| (2r,3r,4r,5s,6s)-2-{[(1s,2s,3as,3bs,7s,9ar,9bs,10r,11as)-7,10-dihydroxy-1-[(2s,3s)-3-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-2-yl]oxy}-3-(acetyloxy)-5-hydroxy-6-methyloxan-4-yl 3,4,5-trimethoxybenzoate Formula: C45H68O13 (816.466) Adducts: [M+H]+ (Ppm: 4.2) |
Vitis vinifera (Fruit) |
grape_dhb_91_1Resolution: 50μm, 120x114
Grape berries fruit, condition: Ripe |
|
| PA(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) Formula: C45H69O11P (816.4577) Adducts: [M+H]+ (Ppm: 10.5) |
Homo sapiens (colorectal adenocarcinoma) |
80TopL, 50TopR, 70BottomL, 60BottomR-profileResolution: 17μm, 137x136
The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024). |
|
| Hebevinoside XII Formula: C43H70O13 (794.4816) Adducts: [M+Na]+ (Ppm: 5.8) |
Homo sapiens (colorectal adenocarcinoma) |
439TopL, 409TopR, 429BottomL, 419BottomR-profileResolution: 17μm, 157x136
The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024). |
|
| PS(18:4(6Z,9Z,12Z,15Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) Formula: C44H68NO11P (817.453) Adducts: [M-H2O+NH4]+ (Ppm: 2.3) |
Homo sapiens (NA) |
160TopL,130TopR,150BottomL,140BottomR-profileResolution: 17μm, 142x136
|
|
| PA(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) Formula: C45H69O11P (816.4577) Adducts: [M+H]+ (Ppm: 12.4) |
Homo sapiens (colorectal adenocarcinoma) |
240TopL, 210TopR, 230BottomL, 220BottomR-centroidResolution: 50μm, 142x141
|
|
