B-Raf inhibitor
Formula: C29H31F3N6O2 (552.246)
Chinese Name:
BioDeep ID: BioDeep_00000176407
( View LC/MS Profile)
SMILES: CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)OC4=NC=NC5=C4C=C(N5)C)C(F)(F)F
Found 20 Sample Hits
m/z | Adducts | Species | Organ | Scanning | Sample | |
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535.2424 | [M+H-H2O]+PPM:0.7 |
Mus musculus | Lung | MALDI (DHB) |
image1 - MTBLS2075Resolution: 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 |
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552.2689 | [M-H2O+NH4]+PPM:0.7 |
Mus musculus | Lung | MALDI (DHB) |
image1 - MTBLS2075Resolution: 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 |
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552.2696 | [M-H2O+NH4]+PPM:0.5 |
Mus musculus | Lung | MALDI (DHB) |
image3 - MTBLS2075Resolution: 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. |
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552.2671 | [M-H2O+NH4]+PPM:4 |
Mus musculus | Lung | MALDI (DHB) |
image5 - MTBLS2075Resolution: 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. |
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552.2742 | [M-H2O+NH4]+PPM:8.9 |
Homo sapiens | esophagus | DESI () |
LNTO22_1_3 - MTBLS385Resolution: 75μm, 121x68
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552.2717 | [M-H2O+NH4]+PPM:4.3 |
Homo sapiens | esophagus | DESI () |
LNTO22_1_4 - MTBLS385Resolution: 17μm, 82x80
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552.2668 | [M-H2O+NH4]+PPM:4.5 |
Homo sapiens | colorectal adenocarcinoma | DESI () |
520TopL, 490TopR, 510BottomL, 500BottomR-profile - MTBLS415Resolution: 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). |
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552.2732 | [M-H2O+NH4]+PPM:7 |
Homo sapiens | esophagus | DESI () |
LNTO29_16_3 - MTBLS385Resolution: 17μm, 108x107
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552.2742 | [M-H2O+NH4]+PPM:8.9 |
Homo sapiens | esophagus | DESI () |
LNTO26_7_1 - MTBLS385Resolution: 17μm, 75x74
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552.274 | [M-H2O+NH4]+PPM:8.5 |
Homo sapiens | esophagus | DESI () |
LNTO26_7_3 - MTBLS385Resolution: 75μm, 82x88
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552.2741 | [M-H2O+NH4]+PPM:8.7 |
Homo sapiens | esophagus | DESI () |
TO29T - MTBLS385Resolution: 75μm, 56x48
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552.2731 | [M-H2O+NH4]+PPM:6.9 |
Homo sapiens | esophagus | DESI () |
TO41T - MTBLS385Resolution: 75μm, 69x43
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552.274 | [M-H2O+NH4]+PPM:8.5 |
Homo sapiens | esophagus | DESI () |
LNTO22_1_8 - MTBLS385Resolution: 75μm, 69x61
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552.274 | [M-H2O+NH4]+PPM:8.5 |
Homo sapiens | esophagus | DESI () |
LNTO22_2_1 - MTBLS385Resolution: 75μm, 89x88
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552.2742 | [M-H2O+NH4]+PPM:8.9 |
Homo sapiens | esophagus | DESI () |
LNTO26_16_1 - MTBLS385Resolution: 75μm, 95x88
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552.2732 | [M-H2O+NH4]+PPM:7 |
Homo sapiens | esophagus | DESI () |
LNTO29_18_2 - MTBLS385Resolution: 75μm, 62x68
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552.2733 | [M-H2O+NH4]+PPM:7.2 |
Homo sapiens | esophagus | DESI () |
LNTO30_7_2 - MTBLS385Resolution: 75μm, 82x68
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552.273 | [M-H2O+NH4]+PPM:6.7 |
Homo sapiens | colorectal adenocarcinoma | DESI () |
240TopL, 210TopR, 230BottomL, 220BottomR-centroid - MTBLS176Resolution: 50μm, 142x141
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552.2729 | [M-H2O+NH4]+PPM:6.5 |
Homo sapiens | colorectal adenocarcinoma | DESI () |
160TopL,130TopR,150BottomL,140BottomR-centroid - MTBLS176Resolution: 50μm, 142x136
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552.2733 | [M-H2O+NH4]+PPM:7.2 |
Homo sapiens | colorectal adenocarcinoma | DESI () |
120TopL, 90TopR, 110BottomL, 100BottomR-centroid - MTBLS176Resolution: 50μm, 132x136
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