M/Z: 285.2596
Hit 2 annotations: 3a,20b-Pregnanediol_[M+H-2H2O]+; (S)-3-Methylthiohexyl hexanoate_[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 5 Reference Ions Near m/z 285.2596
| NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
|---|---|---|---|---|---|
| MSI_000007468 Reliable | 285.2576 | 285.2572 ~ 285.2579 MzDiff: 3.2 ppm |
3a,20b-Pregnanediol (BioDeep_00000019532) Formula: C21H36O2 (320.2715) |
3.98 (100%) | Rattus norvegicus [UBERON:0004359] corpus epididymis |
| MSI_000065196 Reliable | 285.2587 | 285.2585 ~ 285.2588 MzDiff: 1.3 ppm |
3a,20b-Pregnanediol (BioDeep_00000019532) Formula: C21H36O2 (320.2715) |
4.92 (100%) | Homo sapiens [UBERON:0001155] colon |
| MSI_000052399 Unreliable | 285.2588 | 285.2588 ~ 285.2588 MzDiff: none |
3a,20b-Pregnanediol (BioDeep_00000019532) Formula: C21H36O2 (320.2715) |
2.08 (100%) | Homo sapiens [UBERON:0001052] rectum |
| MSI_000053281 Unreliable | 285.2668 | 285.2668 ~ 285.2668 MzDiff: none |
(S)-3-Methylthiohexyl hexanoate (BioDeep_00000035703) Formula: C13H26O2S (246.1653) |
2.73 (100%) | DESI [NOVOCELL:BACKGROUND] blank |
| MSI_000056765 Unreliable | 285.2589 | 285.2586 ~ 285.259 MzDiff: 1.6 ppm |
3a,20b-Pregnanediol (BioDeep_00000019532) Formula: C21H36O2 (320.2715) |
2.48 (100%) | Homo sapiens [UBERON:0001043] esophagus |
Found 27 Sample Hits
| Metabolite | Species | Sample | |
|---|---|---|---|
| 3a,20b-Pregnanediol Formula: C21H36O2 (320.2715) Adducts: [M+H-2H2O]+ (Ppm: 1.3) |
Rattus norvegicus (Epididymis) |
epik_dhb_head_ito03_18Resolution: 17μm, 208x104
|
|
| 3a,20b-Pregnanediol Formula: C21H36O2 (320.2715) Adducts: [M+H-2H2O]+ (Ppm: 1.5) |
Rattus norvegicus (Epididymis) |
epik_dhb_head_ito08_48Resolution: 17μm, 294x107
|
|
| 3a,20b-Pregnanediol Formula: C21H36O2 (320.2715) Adducts: [M+H-2H2O]+ (Ppm: 0.8) |
Rattus norvegicus (Epididymis) |
epik_dhb_head_ito01_03Resolution: 17μm, 159x110
|
|
| 3a,20b-Pregnanediol Formula: C21H36O2 (320.2715) Adducts: [M+H-2H2O]+ (Ppm: 0.9) |
Rattus norvegicus (Epididymis) |
epik_dhb_head_ito03_14Resolution: 17μm, 205x103
|
|
| 3a,20b-Pregnanediol Formula: C21H36O2 (320.2715) Adducts: [M+H-2H2O]+ (Ppm: 5.4) |
Homo sapiens (esophagus) |
LNTO22_1_3Resolution: 75μm, 121x68
|
|
| 3a,20b-Pregnanediol Formula: C21H36O2 (320.2715) Adducts: [M+H-2H2O]+ (Ppm: 6.8) |
Homo sapiens (esophagus) |
LNTO22_1_9Resolution: 75μm, 89x74
|
|
| 3a,20b-Pregnanediol Formula: C21H36O2 (320.2715) Adducts: [M+H-2H2O]+ (Ppm: 5.8) |
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). |
|
| (S)-3-Methylthiohexyl hexanoate Formula: C13H26O2S (246.1653) Adducts: [M+K]+ (Ppm: 13) |
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). |
|
| 3a,20b-Pregnanediol Formula: C21H36O2 (320.2715) Adducts: [M+H-2H2O]+ (Ppm: 3.4) |
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). |
|
| 3a,20b-Pregnanediol Formula: C21H36O2 (320.2715) Adducts: [M+H-2H2O]+ (Ppm: 4) |
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). |
|
| 3a,20b-Pregnanediol Formula: C21H36O2 (320.2715) Adducts: [M+H-2H2O]+ (Ppm: 5.1) |
Homo sapiens (NA) |
160TopL,130TopR,150BottomL,140BottomR-profileResolution: 17μm, 142x136
|
|
| 3a,20b-Pregnanediol Formula: C21H36O2 (320.2715) Adducts: [M+H-2H2O]+ (Ppm: 3.3) |
Homo sapiens (esophagus) |
LNTO29_16_3Resolution: 17μm, 108x107
|
|
| 3a,20b-Pregnanediol Formula: C21H36O2 (320.2715) Adducts: [M+H-2H2O]+ (Ppm: 4.7) |
Homo sapiens (esophagus) |
LNTO26_7_3Resolution: 75μm, 82x88
|
|
| 3a,20b-Pregnanediol Formula: C21H36O2 (320.2715) Adducts: [M+H-2H2O]+ (Ppm: 5.4) |
Homo sapiens (esophagus) |
TO29TResolution: 75μm, 56x48
|
|
| 3a,20b-Pregnanediol Formula: C21H36O2 (320.2715) Adducts: [M+H-2H2O]+ (Ppm: 3.3) |
Homo sapiens (esophagus) |
TO41TResolution: 75μm, 69x43
|
|
| 3a,20b-Pregnanediol Formula: C21H36O2 (320.2715) Adducts: [M+H-2H2O]+ (Ppm: 6.1) |
Homo sapiens (esophagus) |
LNTO22_1_5Resolution: 75μm, 135x94
|
|
| 3a,20b-Pregnanediol Formula: C21H36O2 (320.2715) Adducts: [M+H-2H2O]+ (Ppm: 5.4) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
|
|
| 3a,20b-Pregnanediol Formula: C21H36O2 (320.2715) Adducts: [M+H-2H2O]+ (Ppm: 5) |
Homo sapiens (esophagus) |
LNTO22_1_8Resolution: 75μm, 69x61
|
|
| 3a,20b-Pregnanediol Formula: C21H36O2 (320.2715) Adducts: [M+H-2H2O]+ (Ppm: 4.7) |
Homo sapiens (esophagus) |
LNTO22_2_1Resolution: 75μm, 89x88
|
|
| 3a,20b-Pregnanediol Formula: C21H36O2 (320.2715) Adducts: [M+H-2H2O]+ (Ppm: 6.1) |
Homo sapiens (esophagus) |
LNTO22_2_2Resolution: 75μm, 135x94
|
|
| 3a,20b-Pregnanediol Formula: C21H36O2 (320.2715) Adducts: [M+H-2H2O]+ (Ppm: 5.4) |
Homo sapiens (esophagus) |
LNTO26_16_1Resolution: 75μm, 95x88
|
|
| 3a,20b-Pregnanediol Formula: C21H36O2 (320.2715) Adducts: [M+H-2H2O]+ (Ppm: 3.6) |
Homo sapiens (esophagus) |
LNTO29_18_2Resolution: 75μm, 62x68
|
|
| 3a,20b-Pregnanediol Formula: C21H36O2 (320.2715) Adducts: [M+H-2H2O]+ (Ppm: 2.9) |
Homo sapiens (esophagus) |
LNTO30_7_2Resolution: 75μm, 82x68
|
|
| 3a,20b-Pregnanediol Formula: C21H36O2 (320.2715) Adducts: [M+H-2H2O]+ (Ppm: 2.9) |
Homo sapiens (colorectal adenocarcinoma) |
240TopL, 210TopR, 230BottomL, 220BottomR-centroidResolution: 50μm, 142x141
|
|
| 3a,20b-Pregnanediol Formula: C21H36O2 (320.2715) Adducts: [M+H-2H2O]+ (Ppm: 4) |
Homo sapiens (colorectal adenocarcinoma) |
200TopL, 170TopR, 190BottomL, 180BottomR-centroidResolution: 50μm, 132x126
|
|
| 3a,20b-Pregnanediol Formula: C21H36O2 (320.2715) Adducts: [M+H-2H2O]+ (Ppm: 2.9) |
Homo sapiens (colorectal adenocarcinoma) |
160TopL,130TopR,150BottomL,140BottomR-centroidResolution: 50μm, 142x136
|
|
| 3a,20b-Pregnanediol Formula: C21H36O2 (320.2715) Adducts: [M+H-2H2O]+ (Ppm: 3.6) |
Homo sapiens (colorectal adenocarcinoma) |
120TopL, 90TopR, 110BottomL, 100BottomR-centroidResolution: 50μm, 132x136
|
|
