在BioDeep NovoCell知识数据库中,参考离子总共被划分为4个级别。
  • 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 540.2266
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000024640 Unreliable 540.2266 540.2266 ~ 540.2266
MzDiff: none
ceritinib (BioDeep_00000177165)
Formula: C28H36ClN5O3S (557.2227)
1.77 (100%) Mus musculus
[UBERON:0004269] upper arm connective tissue
MSI_000003025 Unavailable 540.2269 540.2269 ~ 540.2269
MzDiff: none
(R,E)-N-(4-(3-((5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl)amino)piperidine-1-carbonyl)phenyl)-4-(dimethylamino)but-2-enamide (BioDeep_00000017112)
Formula: C30H32ClN7O2 (557.2306)
-0.98 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003687 Unavailable 540.2269 540.2269 ~ 540.2269
MzDiff: none
(R,E)-N-(4-(3-((5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl)amino)piperidine-1-carbonyl)phenyl)-4-(dimethylamino)but-2-enamide (BioDeep_00000017112)
Formula: C30H32ClN7O2 (557.2306)
-1.17 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000005221 Unavailable 540.2269 540.2269 ~ 540.2269
MzDiff: none
(R,E)-N-(4-(3-((5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl)amino)piperidine-1-carbonyl)phenyl)-4-(dimethylamino)but-2-enamide (BioDeep_00000017112)
Formula: C30H32ClN7O2 (557.2306)
-0.74 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005561 Unreliable 540.2269 540.2269 ~ 540.2269
MzDiff: none
(R,E)-N-(4-(3-((5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl)amino)piperidine-1-carbonyl)phenyl)-4-(dimethylamino)but-2-enamide (BioDeep_00000017112)
Formula: C30H32ClN7O2 (557.2306)
0.77 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000025896 Unreliable 540.2345 540.2345 ~ 540.2345
MzDiff: none
Icariside E5 (BioDeep_00000017589)
Formula: C26H34O11 (522.2101)
2.02 (100%) Mus musculus
[UBERON:0000913] interstitial fluid

Found 3 Sample Hits
Metabolite Species Sample
(R,E)-N-(4-(3-((5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl)amino)piperidine-1-carbonyl)phenyl)-4-(dimethylamino)but-2-enamide

Formula: C30H32ClN7O2 (557.2306)
Adducts: [M+H-H2O]+ (Ppm: 1.3)
Rattus norvegicus (Brain)
Spectroswiss - sol_2x_br_2
Resolution: 17μm, 488x193

Description

Icariside E5

Formula: C26H34O11 (522.2101)
Adducts: [M+NH4]+ (Ppm: 17.4)
Mus musculus (Lung)
image1
Resolution: 40μm, 187x165

Description

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

ceritinib

Formula: C28H36ClN5O3S (557.2227)
Adducts: [M+H-H2O]+ (Ppm: 13.3)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased