M/Z: 527.059
Hit 3 annotations: (1R,2R)-5,5-Dichloro-N-(1-cyanocyclopropyl)-2-(4-(4-(methylsulfonyl)phenyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl)cyclohexanecarboxamide_[M+H-2H2O]+
; (1r,3s,4r,7r,8s,12s,13r)-3,4,7-trihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-18-methyl-9-oxa-14,15,16-trithia-10,18-diazatetracyclo[10.4.2.0¹,¹⁰.0³,⁸]octadec-5-ene-11,17-dione_[M+H-H2O]+
; Genistein 4'-glucuronide-7-sulfate_[M+H]+
- 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 527.059
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000055452 Unreliable | 527.0582 | 527.0581 ~ 527.0584 MzDiff: 1.1 ppm |
(1R,2R)-5,5-Dichloro-N-(1-cyanocyclopropyl)-2-(4-(4-(methylsulfonyl)phenyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl)cyclohexanecarboxamide (BioDeep_00000177335) Formula: C23H23Cl2F3N4O3S (562.082) |
1.45 (75%) | MALDI - DHB [NOVOCELL:BACKGROUND] blank |
MSI_000050516 Unreliable | 527.0584 | 527.0584 ~ 527.0584 MzDiff: none |
Genistein 4'-glucuronide-7-sulfate (BioDeep_00000169864) Formula: C21H18O14S (526.0417) |
0 (100%) | Mytilus edulis [UBERON:0009120] gill filament |
MSI_000051516 Unreliable | 527.0584 | 527.0584 ~ 527.0584 MzDiff: none |
Genistein 4'-glucuronide-7-sulfate (BioDeep_00000169864) Formula: C21H18O14S (526.0417) |
0 (100%) | Mytilus edulis [UBERON:2001856] gill ray |
Found 7 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
m/z_527.0583 Formula: - (n/a) Adducts: (Ppm: 0) |
Homo sapiens (Liver) |
20171107_FIT4_DHBpos_p70_s50Resolution: 50μm, 70x70
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(1R,2R)-5,5-Dichloro-N-(1-cyanocyclopropyl)-2-(4-(4-(methylsulfonyl)phenyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl)cyclohexanecarboxamide Formula: C23H23Cl2F3N4O3S (562.082) Adducts: [M+H-2H2O]+ (Ppm: 19.1) |
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. |
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(1r,3s,4r,7r,8s,12s,13r)-3,4,7-trihydroxy-13-(2-hydroxy-3,4-dimethoxyphenyl)-18-methyl-9-oxa-14,15,16-trithia-10,18-diazatetracyclo[10.4.2.0¹,¹⁰.0³,⁸]octadec-5-ene-11,17-dione Formula: C21H24N2O9S3 (544.0644) Adducts: [M+H-H2O]+ (Ppm: 5.3) |
Posidonia oceanica (root) |
MS1_20180404_PO_1200Resolution: 17μm, 193x208
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Genistein 4'-glucuronide-7-sulfate Formula: C21H18O14S (526.0417) Adducts: [M+H]+ (Ppm: 19) |
Mytilus edulis (mantle) |
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210Resolution: 10μm, 270x210
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Genistein 4'-glucuronide-7-sulfate Formula: C21H18O14S (526.0417) Adducts: [M+H]+ (Ppm: 17.8) |
Mytilus edulis (gill) |
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210Resolution: 11μm, 305x210
single cell layer |
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Genistein 4'-glucuronide-7-sulfate Formula: C21H18O14S (526.0417) Adducts: [M+H]+ (Ppm: 18) |
Mytilus edulis (mantle) |
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210Resolution: 10μm, 275x210
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m/z_527.0592 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 |
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