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 1 Reference Ions Near m/z 552.2603
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
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

Found 4 Sample Hits
Metabolite Species Sample
Endoxifen O-glucuronide

Formula: C31H37NO8 (551.2519)
Adducts: [M+H]+ (Ppm: 4.6)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description

B-Raf inhibitor

Formula: C29H31F3N6O2 (552.246)
Adducts: [M-H2O+NH4]+ (Ppm: 4)
Mus musculus (Lung)
image5
Resolution: 40μm, 163x183

Description

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.

Rimegepant

Formula: C28H28F2N6O3 (534.2191)
Adducts: [M+NH4]+ (Ppm: 13.4)
Homo sapiens (colorectal adenocarcinoma)
80TopL, 50TopR, 70BottomL, 60BottomR-profile
Resolution: 17μm, 137x136

Description

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).

Endoxifen O-glucuronide

Formula: C31H37NO8 (551.2519)
Adducts: [M+H]+ (Ppm: 16.5)
Homo sapiens (colorectal adenocarcinoma)
439TopL, 409TopR, 429BottomL, 419BottomR-profile
Resolution: 17μm, 157x136

Description

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).