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 680.0015
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000054493 Unreliable 680.0013 680.0012 ~ 680.0015
MzDiff: 1.3 ppm
1-(2-{[6-(2,3,4,6,9,11-hexachloro-5-hydroxytridec-7-en-1-yl)-5-methyl-1,3-dioxan-4-yl](hydroxy)methyl}-1,3-thiazol-4-yl)ethanone (BioDeep_00002146361)
Formula: C24H33Cl6NO5S (657.0211)
2.7 (40%) MALDI - DHB
[NOVOCELL:BACKGROUND] blank
MSI_000055447 Unreliable 680.0092 680.0092 ~ 680.0092
MzDiff: none
Not Annotated 1.45 (0%) MALDI - DHB
[NOVOCELL:BACKGROUND] blank
MSI_000027240 Unreliable 679.9929 679.9928 ~ 679.993
MzDiff: 0.7 ppm
Not Annotated 3.58 (0%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000004663 Unreliable 680.0055 680.0055 ~ 680.0055
MzDiff: none
Not Annotated 0.34 (0%) Homo sapiens
[UBERON:0002107] liver

Found 5 Sample Hits
Metabolite Species Sample
m/z_680.0055

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description

m/z_680.0013

Formula: - (n/a)
Adducts: (Ppm: 0)
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_680.0012

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.

m/z_680.0006

Formula: - (n/a)
Adducts: (Ppm: 0)
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.

1-(2-{[6-(2,3,4,6,9,11-hexachloro-5-hydroxytridec-7-en-1-yl)-5-methyl-1,3-dioxan-4-yl](hydroxy)methyl}-1,3-thiazol-4-yl)ethanone

Formula: C24H33Cl6NO5S (657.0211)
Adducts: [M+Na]+ (Ppm: 12.9)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description