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 470.0769
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000017410 Reliable 470.0776 470.0776 ~ 470.0776
MzDiff: 0.0 ppm
3,4,10,11-tetramethoxy-5-(trichloromethyl)-7,8-dihydro-5h-6-azatetraphene (BioDeep_00002095890)
Formula: C22H22Cl3NO4 (469.0614)
2.48 (100%) Vitis vinifera
[PO:0009087] mesocarp
MSI_000016823 Unavailable 470.0776 470.0776 ~ 470.0776
MzDiff: 0.0 ppm
3,4,10,11-tetramethoxy-5-(trichloromethyl)-7,8-dihydro-5h-6-azatetraphene (BioDeep_00002095890)
Formula: C22H22Cl3NO4 (469.0614)
-0.06 (100%) Vitis vinifera
[PO:0009086] endocarp
MSI_000004618 Unreliable 470.0769 470.0769 ~ 470.0769
MzDiff: none
2-(a-Hydroxyethyl)thiamine diphosphate (BioDeep_00000005723)
Formula: C14H23N4O8P2S+ (469.0712)
0.39 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000008771 470.0825 470.0825 ~ 470.0825
MzDiff: none
2-(a-Hydroxyethyl)thiamine diphosphate (BioDeep_00000005723)
Formula: C14H23N4O8P2S+ (469.0712)
1.97 (100%) Rattus norvegicus
[UBERON:0004360] cauda epididymis

Found 7 Sample Hits
Metabolite Species Sample
2-(a-Hydroxyethyl)thiamine diphosphate

Formula: C14H23N4O8P2S+ (469.0712)
Adducts: [M+H]+ (Ppm: 3.3)
Homo sapiens (Liver)
20171107_FIT4_DHBpos_p70_s50
Resolution: 50μm, 70x70

Description

3,4,10,11-tetramethoxy-5-(trichloromethyl)-7,8-dihydro-5h-6-azatetraphene

Formula: C22H22Cl3NO4 (469.0614)
Adducts: [M+H]+ (Ppm: 18.9)
Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe

3,4,10,11-tetramethoxy-5-(trichloromethyl)-7,8-dihydro-5h-6-azatetraphene

Formula: C22H22Cl3NO4 (469.0614)
Adducts: [M+H]+ (Ppm: 18.9)
Vitis vinifera (Fruit)
grape_dhb_164_1
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late

3,4,10,11-tetramethoxy-5-(trichloromethyl)-7,8-dihydro-5h-6-azatetraphene

Formula: C22H22Cl3NO4 (469.0614)
Adducts: [M+H]+ (Ppm: 18.9)
Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late

2-(a-Hydroxyethyl)thiamine diphosphate

Formula: C14H23N4O8P2S+ (469.0712)
Adducts: [M+H]+ (Ppm: 4.4)
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.

2-(a-Hydroxyethyl)thiamine diphosphate

Formula: C14H23N4O8P2S+ (469.0712)
Adducts: [M+H]+ (Ppm: 4.2)
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-(a-Hydroxyethyl)thiamine diphosphate

Formula: C14H23N4O8P2S+ (469.0712)
Adducts: [M+H]+ (Ppm: 2.7)
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.