- 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 5 Reference Ions Near m/z 529.0137
| NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
|---|---|---|---|---|---|
| MSI_000015801 Unreliable | 529.0123 | 529.0123 ~ 529.0123 MzDiff: 0.2 ppm |
(3r)-4,4,4-trichloro-n,3-dimethyl-n-[(2r,4r)-5,5,5-trichloro-4-methyl-1-{[(1r)-1-(1,3-thiazol-2-yl)ethyl]amino}pentan-2-yl]butanamide (BioDeep_00002269699) Formula: C17H25Cl6N3OS (528.9849) |
3.37 (100%) | Vitis vinifera [PO:0009085] exocarp |
| MSI_000025505 Unreliable | 529.0188 | 529.0187 ~ 529.0188 MzDiff: 0.5 ppm |
Valoneaic acid (BioDeep_00000022833) Formula: C21H14O15 (506.0333) |
3.19 (50%) | Mus musculus [UBERON:0000913] interstitial fluid |
| MSI_000004688 Unreliable | 529.0204 | 529.0204 ~ 529.0204 MzDiff: none |
UDP-alpha-D-galactose (BioDeep_00000229195) Formula: C15H22N2O17P2 (564.0394) |
0.31 (100%) | Homo sapiens [UBERON:0002107] liver |
| MSI_000016861 Unavailable | 529.0123 | 529.0123 ~ 529.0123 MzDiff: none |
(3r)-4,4,4-trichloro-n,3-dimethyl-n-[(2r,4r)-5,5,5-trichloro-4-methyl-1-{[(1r)-1-(1,3-thiazol-2-yl)ethyl]amino}pentan-2-yl]butanamide (BioDeep_00002269699) Formula: C17H25Cl6N3OS (528.9849) |
-0.12 (100%) | Vitis vinifera [PO:0009086] endocarp |
| MSI_000040706 Unreliable | 529.0204 | 529.0204 ~ 529.0204 MzDiff: none |
3-[(2e)-2-[(sulfooxy)imino]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethyl]indole-1-sulfonic acid (BioDeep_00002234405) Formula: C16H20N2O12S3 (528.0178) |
2.25 (100%) | Posidonia oceanica [PO:0006036] root epidermis |
Found 7 Sample Hits
| Metabolite | Species | Sample | |
|---|---|---|---|
| Ppads Formula: C14H14N3O12PS2 (510.9757) Adducts: [M+NH4]+ (Ppm: 8) |
Homo sapiens (Liver) |
20171107_FIT4_DHBpos_p70_s50Resolution: 50μm, 70x70
|
|
| (3r)-4,4,4-trichloro-n,3-dimethyl-n-[(2r,4r)-5,5,5-trichloro-4-methyl-1-{[(1r)-1-(1,3-thiazol-2-yl)ethyl]amino}pentan-2-yl]butanamide Formula: C17H25Cl6N3OS (528.9849) Adducts: [M-H2O+NH4]+ (Ppm: 7.7) |
Vitis vinifera (Fruit) |
grape_dhb_164_1Resolution: 17μm, 136x122
Grape berries fruit, condition: Late |
|
| (3r)-4,4,4-trichloro-n,3-dimethyl-n-[(2r,4r)-5,5,5-trichloro-4-methyl-1-{[(1r)-1-(1,3-thiazol-2-yl)ethyl]amino}pentan-2-yl]butanamide Formula: C17H25Cl6N3OS (528.9849) Adducts: [M-H2O+NH4]+ (Ppm: 7.7) |
Vitis vinifera (Fruit) |
grape_dhb_163_1Resolution: 17μm, 132x115
Grape berries fruit, condition: Late |
|
| Valoneaic acid Formula: C21H14O15 (506.0333) Adducts: [M+Na]+ (Ppm: 7.2) |
Mus musculus (Lung) |
image3Resolution: 40μm, 146x190
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. |
|
| UDP-alpha-D-galactose Formula: C15H22N2O17P2 (564.0394) Adducts: [M+H-2H2O]+ (Ppm: 12.7) |
Mus musculus (Lung) |
image4Resolution: 40μm, 162x156
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. |
|
| Valoneaic acid Formula: C21H14O15 (506.0333) Adducts: [M+Na]+ (Ppm: 4.5) |
Mus musculus (Lung) |
image5Resolution: 40μm, 163x183
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. |
|
| m/z_529.0145 Formula: - (n/a) Adducts: (Ppm: 0) |
Drosophila melanogaster (brain) |
Drosophila18Resolution: 5μm, 686x685
Sample information
Organism: Drosophila melanogaster
Organism part: Brain
Condition: Healthy
Sample preparation
Sample stabilisation: Frozen
Tissue modification: Frozen
MALDI matrix: 2,5-dihydroxybenzoic acid (DHB)
MALDI matrix application: TM sprayer
Solvent: Aceton/water
MS analysis
Polarity: Positive
Ionisation source: Prototype
Analyzer: Orbitrap
Pixel size: 5μm × 5μm
Annotation settings
m/z tolerance (ppm): 3
Analysis version: Original MSM
Pixel count: 469910
Imzml file size: 696.23 MB
Ibd file size: 814.11 MB |
|
