- 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 6 Reference Ions Near m/z 552.2682
| NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context | 
|---|---|---|---|---|---|
| MSI_000043892 Reliable | 552.2743 | 552.274 ~ 552.2749 MzDiff: 3.5 ppm | 
                                    B-Raf inhibitor (BioDeep_00000176407) Formula: C29H31F3N6O2 (552.246)  | 
                                    13.91 (70%) | Homo sapiens [UBERON:0001043] esophagus  | 
                                
| MSI_000056778 Unreliable | 552.2732 | 552.2731 ~ 552.2733 MzDiff: 0.7 ppm | 
                                    B-Raf inhibitor (BioDeep_00000176407) Formula: C29H31F3N6O2 (552.246)  | 
                                    4.87 (100%) | Homo sapiens [UBERON:0001043] esophagus  | 
                                
| MSI_000051765 Unreliable | 552.278 | 552.278 ~ 552.278 MzDiff: none | 
                                    Isepamicin (BioDeep_00000036548) Formula: C22H43N5O12 (569.2908)  | 
                                    2.47 (100%) | Homo sapiens [UBERON:0001052] rectum  | 
                                
| MSI_000065669 Unreliable | 552.2729 | 552.2729 ~ 552.2729 MzDiff: none | 
                                    B-Raf inhibitor (BioDeep_00000176407) Formula: C29H31F3N6O2 (552.246)  | 
                                    1.19 (100%) | Homo sapiens [UBERON:0001155] colon  | 
                                
| MSI_000026013 Unreliable | 552.2696 | 552.2696 ~ 552.2696 MzDiff: none | 
                                    B-Raf inhibitor (BioDeep_00000176407) Formula: C29H31F3N6O2 (552.246)  | 
                                    1.95 (100%) | Mus musculus [UBERON:0000913] interstitial fluid  | 
                                
| MSI_000056229 Unavailable | 552.2749 | 552.2749 ~ 552.2749 MzDiff: none | 
                                    Haloperidol decanoate (BioDeep_00000179672) Formula: C31H41ClFNO3 (529.2759)  | 
                                    -0.58 (100%) | Homo sapiens [UBERON:0007779] transudate  | 
                                
Found 9 Sample Hits
| Metabolite | Species | Sample | |
|---|---|---|---|
| B-Raf inhibitor Formula: C29H31F3N6O2 (552.246) Adducts: [M-H2O+NH4]+ (Ppm: 0.7)  | 
                                    Mus musculus (Lung) | 
                                        image1Resolution: 40μm, 187x165
                                         Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin.
Fig 1-3, Fig S1-S3, S5  | 
                                    
                                        
                                             | 
                                
| B-Raf inhibitor Formula: C29H31F3N6O2 (552.246) Adducts: [M-H2O+NH4]+ (Ppm: 0.5)  | 
                                    Mus musculus (Lung) | 
                                        image3Resolution: 40μm, 146x190
                                         Fig. 4 MALDI-MSI data of mouse lung tissue after administration with D9-choline and U13C-DPPC–containing Poractant alfa surfactant (labels administered 12 h prior to tissue collection). Ion images of (A) m/z 796.6856 ([U13C-DPPC+Na]+), (B) m/z 756.5154 [PC32:0+Na]+), and (C) m/z 765.6079 ([D9-PC32:0+Na]+). D: Overlay image of [U13C-PC32:0+Na]+ (red) and [D9-PC32:0+Na]+ (green). Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.  | 
                                    
                                        
                                             | 
                                
| B-Raf inhibitor Formula: C29H31F3N6O2 (552.246) Adducts: [M-H2O+NH4]+ (Ppm: 4)  | 
                                    Mus musculus (Lung) | 
                                        image5Resolution: 40μm, 163x183
                                         Supplementary Figure S8. MALDI-MSI data of mouse lung tissue administered with D9-choline and
U 13C-DPPC–containing Poractant alfa surfactant (labels administered 18 h prior to sacrifice). Ion
images of (a) m/z 796.6856 ([U13C-DPPC+Na]+), (b) m/z 756.5154 [PC32:0+Na]+ and (c) m/z 765.6079
([D9-PC32:0+Na]+). (d) Overlay image of [U13C-DPPC+Na]+ (red) and [D9-PC32:0+Na]+ (green).
Parts per million (ppm) mass errors are indicated in parentheses. All images were visualised using totalion-current normalisation and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0.  | 
                                    
                                        
                                             | 
                                
| B-Raf inhibitor Formula: C29H31F3N6O2 (552.246) Adducts: [M-H2O+NH4]+ (Ppm: 8.9)  | 
                                    Homo sapiens (esophagus) | 
                                        LNTO22_1_3Resolution: 75μm, 121x68
                                          | 
                                    
                                        
                                             | 
                                
| B-Raf inhibitor Formula: C29H31F3N6O2 (552.246) Adducts: [M-H2O+NH4]+ (Ppm: 4.3)  | 
                                    Homo sapiens (esophagus) | 
                                        LNTO22_1_4Resolution: 17μm, 82x80
                                          | 
                                    
                                        
                                             | 
                                
| Endoxifen O-glucuronide Formula: C31H37NO8 (551.2519) Adducts: [M+H]+ (Ppm: 16.3)  | 
                                    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).  | 
                                    
                                        
                                             | 
                                
| B-Raf inhibitor Formula: C29H31F3N6O2 (552.246) Adducts: [M-H2O+NH4]+ (Ppm: 4.5)  | 
                                    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).  | 
                                    
                                        
                                             | 
                                
| B-Raf inhibitor Formula: C29H31F3N6O2 (552.246) Adducts: [M-H2O+NH4]+ (Ppm: 7.2)  | 
                                    Homo sapiens (esophagus) | 
                                        LNTO30_7_2Resolution: 75μm, 82x68
                                          | 
                                    
                                        
                                             | 
                                
| B-Raf inhibitor Formula: C29H31F3N6O2 (552.246) Adducts: [M-H2O+NH4]+ (Ppm: 6.5)  | 
                                    Homo sapiens (colorectal adenocarcinoma) | 
                                        160TopL,130TopR,150BottomL,140BottomR-centroidResolution: 50μm, 142x136
                                          | 
                                    
                                        
                                             | 
                                
