M/Z: 744.5666
Hit 2 annotations: SM(d18:0/18:1(12Z)-O(9S,10R))_[M]+; 3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate_[M+H-2H2O]+
- 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 9 Reference Ions Near m/z 744.5666
| NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
|---|---|---|---|---|---|
| MSI_000043333 Reliable | 744.5566 | 744.5564 ~ 744.557 MzDiff: 2.7 ppm |
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257) Formula: C41H78NO8P (743.5465) |
15.61 (100%) | Homo sapiens [UBERON:0001043] esophagus |
| MSI_000043442 Unreliable | 744.5574 | 744.5573 ~ 744.5574 MzDiff: 0.4 ppm |
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257) Formula: C41H78NO8P (743.5465) |
2.79 (100%) | Homo sapiens [UBERON:0001043] esophagus |
| MSI_000043500 Unreliable | 744.5574 | 744.5573 ~ 744.5574 MzDiff: 0.4 ppm |
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257) Formula: C41H78NO8P (743.5465) |
2.79 (100%) | Homo sapiens [UBERON:0001043] esophagus |
| MSI_000046994 Unreliable | 744.5666 | 744.5666 ~ 744.5666 MzDiff: none |
SM(d18:0/18:1(12Z)-O(9S,10R)) (BioDeep_00000215475) Formula: C41H81N2O7P (744.5781) |
3.04 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
| MSI_000047054 Unreliable | 744.5598 | 744.5598 ~ 744.5598 MzDiff: none |
PE(P-18:0/22:4(7Z,10Z,13Z,16Z)) (BioDeep_00000031982) Formula: C45H82NO7P (779.5829) |
2.91 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
| MSI_000047322 Unreliable | 744.5734 | 744.5734 ~ 744.5734 MzDiff: none |
3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate (BioDeep_00000228844) Formula: C53H79O4 (779.5978) |
2.39 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
| MSI_000051690 Unreliable | 744.5629 | 744.5629 ~ 744.5629 MzDiff: none |
SM(d18:0/18:1(12Z)-O(9S,10R)) (BioDeep_00000215475) Formula: C41H81N2O7P (744.5781) |
2.61 (100%) | Homo sapiens [UBERON:0001052] rectum |
| MSI_000052254 Unreliable | 744.5697 | 744.5697 ~ 744.5697 MzDiff: none |
3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate (BioDeep_00000228844) Formula: C53H79O4 (779.5978) |
2.24 (100%) | Homo sapiens [UBERON:0001052] rectum |
| MSI_000055915 Unavailable | 744.5574 | 744.5574 ~ 744.5574 MzDiff: none |
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257) Formula: C41H78NO8P (743.5465) |
-0.34 (100%) | Homo sapiens [UBERON:0007779] transudate |
Found 4 Sample Hits
| Metabolite | Species | Sample | |
|---|---|---|---|
| SM(d18:0/18:1(12Z)-O(9S,10R)) Formula: C41H81N2O7P (744.5781) Adducts: [M]+ (Ppm: 14.7) |
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). |
|
| SM(d18:0/18:1(12Z)-O(9S,10R)) Formula: C41H81N2O7P (744.5781) Adducts: [M]+ (Ppm: 14.5) |
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-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate Formula: C53H79O4 (779.5978) Adducts: [M+H-2H2O]+ (Ppm: 19.1) |
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). |
|
| SM(d18:0/18:1(12Z)-O(9S,10R)) Formula: C41H81N2O7P (744.5781) Adducts: [M]+ (Ppm: 16.7) |
Homo sapiens (NA) |
160TopL,130TopR,150BottomL,140BottomR-profileResolution: 17μm, 142x136
|
|
