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 9 Reference Ions Near m/z 464.0352
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000010946 Unreliable 464.0263 464.0263 ~ 464.0263
MzDiff: none
1,1,2,2-Tetrahydroperfluoro-1-decanol (BioDeep_00000175044)
Formula: C10H5F17O (464.0069)
2.84 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000055105 Unreliable 464.0339 464.0339 ~ 464.0339
MzDiff: none
N-(2,2,2-Trifluoroethyl)-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide (BioDeep_00000010800)
Formula: C17H12F9NO3S (481.0394)
1.53 (100%) MALDI - DHB
[NOVOCELL:BACKGROUND] blank
MSI_000013039 Unavailable 464.029 464.029 ~ 464.029
MzDiff: none
N-(2,2,2-Trifluoroethyl)-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide (BioDeep_00000010800)
Formula: C17H12F9NO3S (481.0394)
-0.63 (100%) Plant
[PO:0005020] vascular bundle
MSI_000013843 Unreliable 464.029 464.029 ~ 464.029
MzDiff: none
N-(2,2,2-Trifluoroethyl)-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide (BioDeep_00000010800)
Formula: C17H12F9NO3S (481.0394)
0.04 (100%) Plant
[PO:0005417] phloem
MSI_000015177 Unavailable 464.029 464.029 ~ 464.029
MzDiff: none
N-(2,2,2-Trifluoroethyl)-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide (BioDeep_00000010800)
Formula: C17H12F9NO3S (481.0394)
-0.6 (100%) Plant
[PO:0006036] root epidermis
MSI_000018574 Unreliable 464.029 464.029 ~ 464.029
MzDiff: none
N-(2,2,2-Trifluoroethyl)-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide (BioDeep_00000010800)
Formula: C17H12F9NO3S (481.0394)
1.72 (100%) Plant
[PO:0020124] root stele
MSI_000020089 Unavailable 464.029 464.029 ~ 464.029
MzDiff: none
N-(2,2,2-Trifluoroethyl)-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide (BioDeep_00000010800)
Formula: C17H12F9NO3S (481.0394)
-0.53 (100%) Plant
[PO:0025197] stele
MSI_000004652 Unreliable 464.0348 464.0348 ~ 464.0348
MzDiff: none
N-(2,2,2-Trifluoroethyl)-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide (BioDeep_00000010800)
Formula: C17H12F9NO3S (481.0394)
0.35 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000040328 Unavailable 464.0352 464.0352 ~ 464.0352
MzDiff: none
[(e)-[2-(3,4-dihydroxyphenyl)-1-{[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid (BioDeep_00002264411)
Formula: C14H19NO11S2 (441.04)
-0.15 (100%) Posidonia oceanica
[PO:0005417] phloem

Found 5 Sample Hits
Metabolite Species Sample
N-(2,2,2-Trifluoroethyl)-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide

Formula: C17H12F9NO3S (481.0394)
Adducts: [M+H-H2O]+ (Ppm: 2.9)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description

N-(2,2,2-Trifluoroethyl)-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide

Formula: C17H12F9NO3S (481.0394)
Adducts: [M+H-H2O]+ (Ppm: 2.9)
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.

N-(2,2,2-Trifluoroethyl)-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide

Formula: C17H12F9NO3S (481.0394)
Adducts: [M+H-H2O]+ (Ppm: 4.8)
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.

[(e)-[2-(3,4-dihydroxyphenyl)-1-{[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid

Formula: C14H19NO11S2 (441.04)
Adducts: [M+Na]+ (Ppm: 13)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description

N-(2,2,2-Trifluoroethyl)-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide

Formula: C17H12F9NO3S (481.0394)
Adducts: [M+H-H2O]+ (Ppm: 2)
Drosophila melanogaster (brain)
Drosophila18
Resolution: 5μm, 686x685

Description

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