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 5 Reference Ions Near m/z 547.0853
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000010467 Unavailable 547.0775 547.0775 ~ 547.0775
MzDiff: 0.2 ppm
dTDP-4-oxo-6-deoxy-D-glucose (BioDeep_00000014418)
Formula: C16H24N2O15P2 (546.0652)
-1.51 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000012125 Unavailable 547.0775 547.0775 ~ 547.0775
MzDiff: 0.0 ppm
dTDP-4-oxo-6-deoxy-D-glucose (BioDeep_00000014418)
Formula: C16H24N2O15P2 (546.0652)
-0.94 (100%) Bathymodiolus
[UBERON:2000211] gill lamella
MSI_000054709 Unreliable 547.0785 547.0785 ~ 547.0785
MzDiff: none
dTDP-4-oxo-6-deoxy-D-glucose (BioDeep_00000014418)
Formula: C16H24N2O15P2 (546.0652)
1.81 (100%) MALDI - DHB
[NOVOCELL:BACKGROUND] blank
MSI_000004440 Unreliable 547.0765 547.0765 ~ 547.0765
MzDiff: none
dTDP-4-oxo-6-deoxy-D-glucose (BioDeep_00000014418)
Formula: C16H24N2O15P2 (546.0652)
0.59 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000038456 Unreliable 547.0853 547.0853 ~ 547.0853
MzDiff: none
8-(acetyloxy)-7-methyl-6-oxo-3-(prop-1-en-1-yl)-8,8a-dihydro-1h-isochromen-7-yl 3,5-dichloro-2,4-dimethoxy-6-methylbenzoate (BioDeep_00002075021)
Formula: C25H26Cl2O8 (524.1005)
2.02 (100%) Posidonia oceanica
[PO:0005059] root endodermis

Found 4 Sample Hits
Metabolite Species Sample
(2r,3r,4s)-5,7-dihydroxy-4-(2,4,6-trihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

Formula: C28H22O14 (582.101)
Adducts: [M+H-2H2O]+ (Ppm: 4.2)
Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe

dTDP-D-glucose

Formula: C16H26N2O16P2 (564.0758)
Adducts: [M+H-H2O]+ (Ppm: 17.2)
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.

2',7'-Bis(carboxyethyl)-5,6-carboxyfluorescein

Formula: C28H20O13 (564.0904)
Adducts: [M+H-H2O]+ (Ppm: 6)
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.

8-(acetyloxy)-7-methyl-6-oxo-3-(prop-1-en-1-yl)-8,8a-dihydro-1h-isochromen-7-yl 3,5-dichloro-2,4-dimethoxy-6-methylbenzoate

Formula: C25H26Cl2O8 (524.1005)
Adducts: [M+Na]+ (Ppm: 8)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description