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 2 Reference Ions Near m/z 505.9993
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000004544 Unreliable 506.0082 506.0082 ~ 506.0082
MzDiff: none
Phosphoaminophosphonic acid-adenylate ester (BioDeep_00000176020)
Formula: C10H17N6O12P3 (506.0117)
0.46 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000024357 Unreliable 506.0086 506.0086 ~ 506.0086
MzDiff: none
Thiamine triphosphate (BioDeep_00000005068)
Formula: C12H20N4O10P3S+ (505.0113)
1.79 (100%) Mus musculus
[UBERON:0004269] upper arm connective tissue

Found 3 Sample Hits
Metabolite Species Sample
Phosphoaminophosphonic acid-adenylate ester

Formula: C10H17N6O12P3 (506.0117)
Adducts: [M]+ (Ppm: 6.3)
Mus musculus (Lung)
image3
Resolution: 40μm, 146x190

Description

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.

Thiamine triphosphate

Formula: C12H20N4O10P3S+ (505.0113)
Adducts: [M+H]+ (Ppm: 19.5)
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.

(3s)-4,4,4-trichloro-3-methyl-n-[(2s,4s,5s)-1,1,1-trichloro-5-hydroxy-7-methoxy-2,6,6-trimethyl-7-oxoheptan-4-yl]butanimidic acid

Formula: C16H25Cl6NO4 (504.9915)
Adducts: [M+H]+ (Ppm: 1.1)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description