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 4 Reference Ions Near m/z 390.9659
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000038191 Unreliable 390.9607 390.9607 ~ 390.9608
MzDiff: 0.5 ppm
{[(2s,3s,4r,5r)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]oxy(hydroxy)phosphoryl}oxyphosphonic acid (BioDeep_00002146475)
Formula: C5H13O14P3 (389.9518)
1.86 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000017147 Unavailable 390.9659 390.9659 ~ 390.9659
MzDiff: none
{[(2s,3s,4r,5r)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]oxy(hydroxy)phosphoryl}oxyphosphonic acid (BioDeep_00002146475)
Formula: C5H13O14P3 (389.9518)
-0.34 (100%) Vitis vinifera
[PO:0009086] endocarp
MSI_000032699 Unreliable 390.9594 390.9594 ~ 390.9594
MzDiff: none
{[(2s,3s,4r,5r)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]oxy(hydroxy)phosphoryl}oxyphosphonic acid (BioDeep_00002146475)
Formula: C5H13O14P3 (389.9518)
0.52 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000034799 Unavailable 390.9594 390.9594 ~ 390.9594
MzDiff: none
{[(2s,3s,4r,5r)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]oxy(hydroxy)phosphoryl}oxyphosphonic acid (BioDeep_00002146475)
Formula: C5H13O14P3 (389.9518)
-0.11 (100%) Posidonia oceanica
[PO:0006036] root epidermis

Found 5 Sample Hits
Metabolite Species Sample
{[(2s,3s,4r,5r)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]oxy(hydroxy)phosphoryl}oxyphosphonic acid

Formula: C5H13O14P3 (389.9518)
Adducts: [M+H]+ (Ppm: 17.4)
Vitis vinifera (Fruit)
grape_dhb_164_1
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late

Phosphoribosyl pyrophosphate

Formula: C5H13O14P3 (389.9518)
Adducts: [M+H]+ (Ppm: 20)
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.

m/z_390.9682

Formula: - (n/a)
Adducts: (Ppm: 0)
Mus musculus (Lung)
image4
Resolution: 40μm, 162x156

Description

Fig 6c Fig. 6 MALDI-MSI of U13C-PC16:0/16:0 acyl chain remodeling. A: Averaged MALDI mass spectrum from lung tissue collected from mice euthanized 12 h after administration of D9-choline and U13C-DPPC–containing Poractant alfa surfactant. The ion at m/z 828.6321 is assigned as the [M+Na]+ ion of 13C24-PC16:0_20:4 formed by acyl remodeling of U13C-PC16:0/16:0. The “NL” value refers to the intensity of the base peak in the full range MS1 spectrum. B: MS/MS spectrum of precursor ions at m/z 828.5 ± 0.5 with fragment ions originating from [13C24-PC16:0_20:4+Na]+ annotated. Part-per-million (ppm) mass errors are provided in parentheses. C, D: MALDI-MSI data of [U13C-DPPC+Na]+ (blue), [PC36:4+Na]+ (green) and [13C24-PC16:0_20:4+Na]+ (red) in lung tissue collected from mice (C) 12 h and (D) 18 h after label administration. All images were visualized using total-ion-current normalization and hotspot removal (high quantile = 99%). MS/MS, tandem mass spectrometry; MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.

(6-Aminopurin-9-yl) [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate

Formula: C5H8N5O10P3 (390.9484)
Adducts: [M-H2O+NH4]+ (Ppm: 8.9)
Mus musculus (Lung)
image2
Resolution: 40μm, 550x256

Description

Supplementary Figure S6. Ion distribution images for (a) [PC36:4+Na]+ (m/z 804.5514) and (b) [PC38:6+Na]+ (m/z 828.5515) obtained from mouse lung tissue collected 6 h after administration of D9- choline and U13C-DPPC–containing CHF5633. Parts-per-million (ppm) mass errors are indicated in parentheses. (c) Magnification of the boxed region in (a) with selected bronchiolar regions outlined in white boxes. (d) The corresponding H&E-stained tissue section with the same selected bronchiolar regions outlined in black boxes. These data demonstrate the co-localisation of the polyunsaturated lipids PC36:4 and PC38:6 with the bronchiolar regions of the lung. All MSI images were visualised using total ion current normalisation and hotspot removal (high quantile = 99%).

{[(2s,3s,4r,5r)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]oxy(hydroxy)phosphoryl}oxyphosphonic acid

Formula: C5H13O14P3 (389.9518)
Adducts: [M+H]+ (Ppm: 4.4)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description