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 3 Reference Ions Near m/z 975.5431
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000022219 Unreliable 975.5389 975.5389 ~ 975.5389
MzDiff: none
2,2-Dimethylhexanal (BioDeep_00000227500)
Formula: C59H74O12 (974.518)
0.35 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000026843 Unreliable 975.5512 975.5511 ~ 975.5513
MzDiff: 0.7 ppm
CL(8:0/8:0/8:0/13:0) (BioDeep_00000109150)
Formula: C46H88O17P2 (974.5496)
3.83 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000027036 Unreliable 975.5479 975.5479 ~ 975.5479
MzDiff: none
PI(20:3(5Z,8Z,11Z)/6 keto-PGF1alpha) (BioDeep_00000202299)
Formula: C49H83O17P (974.5368)
1.78 (100%) Mus musculus
[UBERON:0002048] lung

Found 3 Sample Hits
Metabolite Species Sample
2,2-Dimethylhexanal

Formula: C59H74O12 (974.518)
Adducts: [M+H]+ (Ppm: 18.3)
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.

PI(20:3(5Z,8Z,11Z)/6 keto-PGF1alpha)

Formula: C49H83O17P (974.5368)
Adducts: [M+H]+ (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.

CL(8:0/8:0/8:0/13:0)

Formula: C46H88O17P2 (974.5496)
Adducts: [M+H]+ (Ppm: 10.3)
Mytilus edulis (gill)
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210
Resolution: 11μm, 305x210

Description

single cell layer class_4 is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell