M/Z: 848.6595
Hit 3 annotations: 16-[(4-amino-2-hydroxybutyl)(3-aminopropyl)carbamoyl]hexadecyl 7''-ethyl-4'-hydroxy-6-methyl-4'',7''-dihydro-3''h-dispiro[oxane-2,6'-[7,9,12]triazatricyclo[6.3.1.0⁴,¹²]dodecane-10',2''-oxepin]-8'-ene-5'-carboxylate_[M+NH4]+; 3-Decaprenyl-4-hydroxy-5-methoxybenzoate_[M]+; PE(20:0/20:4(6E,8Z,11Z,14Z)+=O(5))_[M+K]+
- 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 13 Reference Ions Near m/z 848.6595
| NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
|---|---|---|---|---|---|
| MSI_000055620 Reliable | 848.6503 | 848.6501 ~ 848.6508 MzDiff: 3.0 ppm |
PS(16:0/24:0) (BioDeep_00000104717) Formula: C46H90NO10P (847.6302) |
1.85 (67%) | Homo sapiens [UBERON:0001043] esophagus |
| MSI_000060699 Unreliable | 848.6587 | 848.6585 ~ 848.6589 MzDiff: 1.8 ppm |
PE(20:0/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000186860) Formula: C45H80NO9P (809.557) |
4.05 (67%) | Mus musculus [UBERON:0002421] hippocampal formation |
| MSI_000060767 Unreliable | 848.6523 | 848.6521 ~ 848.6525 MzDiff: 1.7 ppm |
PE(20:0/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000186860) Formula: C45H80NO9P (809.557) |
4.03 (33%) | Mus musculus [UBERON:0002421] hippocampal formation |
| MSI_000002739 Unavailable | 848.6579 | 848.6579 ~ 848.6579 MzDiff: none |
16-[(4-amino-2-hydroxybutyl)(3-aminopropyl)carbamoyl]hexadecyl 7''-ethyl-4'-hydroxy-6-methyl-4'',7''-dihydro-3''h-dispiro[oxane-2,6'-[7,9,12]triazatricyclo[6.3.1.0⁴,¹²]dodecane-10',2''-oxepin]-8'-ene-5'-carboxylate (BioDeep_00002078887) Formula: C46H82N6O7 (830.6245) |
-0.4 (100%) | Rattus norvegicus [UBERON:0001950] neocortex |
| MSI_000003587 Unavailable | 848.6579 | 848.6579 ~ 848.6579 MzDiff: none |
16-[(4-amino-2-hydroxybutyl)(3-aminopropyl)carbamoyl]hexadecyl 7''-ethyl-4'-hydroxy-6-methyl-4'',7''-dihydro-3''h-dispiro[oxane-2,6'-[7,9,12]triazatricyclo[6.3.1.0⁴,¹²]dodecane-10',2''-oxepin]-8'-ene-5'-carboxylate (BioDeep_00002078887) Formula: C46H82N6O7 (830.6245) |
-0.65 (100%) | Rattus norvegicus [UBERON:0002037] cerebellum |
| MSI_000004779 Unreliable | 848.6579 | 848.6579 ~ 848.6579 MzDiff: none |
16-[(4-amino-2-hydroxybutyl)(3-aminopropyl)carbamoyl]hexadecyl 7''-ethyl-4'-hydroxy-6-methyl-4'',7''-dihydro-3''h-dispiro[oxane-2,6'-[7,9,12]triazatricyclo[6.3.1.0⁴,¹²]dodecane-10',2''-oxepin]-8'-ene-5'-carboxylate (BioDeep_00002078887) Formula: C46H82N6O7 (830.6245) |
2.09 (100%) | Rattus norvegicus [UBERON:0002298] brainstem |
| MSI_000005737 Unavailable | 848.6579 | 848.6579 ~ 848.6579 MzDiff: none |
16-[(4-amino-2-hydroxybutyl)(3-aminopropyl)carbamoyl]hexadecyl 7''-ethyl-4'-hydroxy-6-methyl-4'',7''-dihydro-3''h-dispiro[oxane-2,6'-[7,9,12]triazatricyclo[6.3.1.0⁴,¹²]dodecane-10',2''-oxepin]-8'-ene-5'-carboxylate (BioDeep_00002078887) Formula: C46H82N6O7 (830.6245) |
-0.55 (100%) | Rattus norvegicus [UBERON:0002435] striatum |
| MSI_000059079 Unavailable | 848.6525 | 848.6525 ~ 848.6525 MzDiff: none |
Not Annotated | -0.67 (0%) | Mus musculus [UBERON:0001950] neocortex |
| MSI_000059117 Unavailable | 848.6589 | 848.6589 ~ 848.6589 MzDiff: none |
PE(20:0/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000186860) Formula: C45H80NO9P (809.557) |
-0.71 (100%) | Mus musculus [UBERON:0001950] neocortex |
| MSI_000059466 Unreliable | 848.6525 | 848.6525 ~ 848.6525 MzDiff: none |
Not Annotated | 1.15 (0%) | Mus musculus [UBERON:0002298] brainstem |
| MSI_000059505 Unreliable | 848.6589 | 848.6589 ~ 848.6589 MzDiff: none |
PE(20:0/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000186860) Formula: C45H80NO9P (809.557) |
1.14 (100%) | Mus musculus [UBERON:0002298] brainstem |
| MSI_000061781 Unavailable | 848.6522 | 848.6522 ~ 848.6522 MzDiff: none |
PE(20:0/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000186860) Formula: C45H80NO9P (809.557) |
-0.4 (100%) | Mus musculus [UBERON:0000956] cerebral cortex |
| MSI_000061800 Unavailable | 848.6585 | 848.6585 ~ 848.6585 MzDiff: none |
Not Annotated | -0.41 (0%) | Mus musculus [UBERON:0000956] cerebral cortex |
Found 10 Sample Hits
| Metabolite | Species | Sample | |
|---|---|---|---|
| 16-[(4-amino-2-hydroxybutyl)(3-aminopropyl)carbamoyl]hexadecyl 7''-ethyl-4'-hydroxy-6-methyl-4'',7''-dihydro-3''h-dispiro[oxane-2,6'-[7,9,12]triazatricyclo[6.3.1.0⁴,¹²]dodecane-10',2''-oxepin]-8'-ene-5'-carboxylate Formula: C46H82N6O7 (830.6245) Adducts: [M+NH4]+ (Ppm: 0.5) |
Rattus norvegicus (Brain) |
Spectroswiss - sol_2x_br_2Resolution: 17μm, 488x193
|
|
| m/z_848.6592 Formula: - (n/a) Adducts: (Ppm: 0) |
Homo sapiens (esophagus) |
LNTO22_1_3Resolution: 75μm, 121x68
|
|
| m/z_848.6584 Formula: - (n/a) Adducts: (Ppm: 0) |
Homo sapiens (colorectal adenocarcinoma) |
520TopL, 490TopR, 510BottomL, 500BottomR-profileResolution: 17μm, 147x131
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). |
|
| 3-Decaprenyl-4-hydroxy-5-methoxybenzoate Formula: C58H88O4 (848.6682) Adducts: [M]+ (Ppm: 13.2) |
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). |
|
| PE(20:0/20:4(6E,8Z,11Z,14Z)+=O(5)) Formula: C45H80NO9P (809.557) Adducts: [M+K]+ (Ppm: 4.8) |
Mus musculus (brain) |
Brain01_Bregma-3-88b_centroidResolution: 17μm, 265x320
|
|
| m/z_848.6585 Formula: - (n/a) Adducts: (Ppm: 0) |
Mus musculus (brain) |
Brain01_Bregma1-42_02_centroidResolution: 17μm, 434x258
|
|
| PE(20:0/20:4(6E,8Z,11Z,14Z)+=O(5)) Formula: C45H80NO9P (809.557) Adducts: [M+K]+ (Ppm: 4.7) |
Mus musculus (brain) |
Brain01_Bregma1-42_01_centroidResolution: 17μm, 447x118
|
|
| PE(20:0/20:4(6E,8Z,11Z,14Z)+=O(5)) Formula: C45H80NO9P (809.557) Adducts: [M+K]+ (Ppm: 5.5) |
Mus musculus (brain) |
Brain02_Bregma1-42_03Resolution: 17μm, 483x403
|
|
| 3-Decaprenyl-4-hydroxy-5-methoxybenzoate Formula: C58H88O4 (848.6682) Adducts: [M]+ (Ppm: 9.9) |
Mus musculus (brain) |
Brain02_Bregma-3-88Resolution: 17μm, 288x282
|
|
| PE(20:0/20:4(6E,8Z,11Z,14Z)+=O(5)) Formula: C45H80NO9P (809.557) Adducts: [M+K]+ (Ppm: 5.3) |
Mus musculus (brain) |
Brain02_Bregma-1-46Resolution: 17μm, 294x399
|
|
