M/Z: 438.2838
Hit 3 annotations: 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea_[M]+; Dimethyl 3-methoxy-4-oxo-5-(8,11,14-pentadecatrienyl)-2-hexenedioate_[M+NH4]+; 2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone_[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 4 Reference Ions Near m/z 438.2838
| NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
|---|---|---|---|---|---|
| MSI_000057814 Reliable | 438.2774 | 438.277 ~ 438.2778 MzDiff: 3.1 ppm |
2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone (BioDeep_00000175601) Formula: C25H40ClNO3 (437.2697) |
3.65 (83%) | DESI [NOVOCELL:BACKGROUND] blank |
| MSI_000065159 Reliable | 438.2772 | 438.277 ~ 438.2774 MzDiff: 1.5 ppm |
2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone (BioDeep_00000175601) Formula: C25H40ClNO3 (437.2697) |
5.42 (100%) | Homo sapiens [UBERON:0001155] colon |
| MSI_000047004 Unreliable | 438.2785 | 438.2785 ~ 438.2785 MzDiff: none |
2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone (BioDeep_00000175601) Formula: C25H40ClNO3 (437.2697) |
3.03 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
| MSI_000058350 Unreliable | 438.2769 | 438.2768 ~ 438.2769 MzDiff: 0.7 ppm |
Lenapenem (BioDeep_00000180416) Formula: C18H29N3O5S (399.1828) |
1.48 (50%) | Homo sapiens [UBERON:0007779] transudate |
Found 5 Sample Hits
| Metabolite | Species | Sample | |
|---|---|---|---|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M]+ (Ppm: 3.8) |
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). |
|
| Dimethyl 3-methoxy-4-oxo-5-(8,11,14-pentadecatrienyl)-2-hexenedioate Formula: C24H36O6 (420.2512) Adducts: [M+NH4]+ (Ppm: 2.7) |
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). |
|
| Dimethyl 3-methoxy-4-oxo-5-(8,11,14-pentadecatrienyl)-2-hexenedioate Formula: C24H36O6 (420.2512) Adducts: [M+NH4]+ (Ppm: 3.7) |
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). |
|
| 1-[(2R)-2-(1,3-Benzodioxol-4-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Formula: C27H38N2O3 (438.2882) Adducts: [M]+ (Ppm: 5.2) |
Homo sapiens (NA) |
160TopL,130TopR,150BottomL,140BottomR-profileResolution: 17μm, 142x136
|
|
| 2-Chloro-1-[(2S,3S,5S,10S,13S)-3-hydroxy-10,13-dimethyl-2-morpholino-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone Formula: C25H40ClNO3 (437.2697) Adducts: [M+H]+ (Ppm: 2.4) |
Homo sapiens (esophagus) |
LNTO30_7_2Resolution: 75μm, 82x68
|
|
