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 3 Reference Ions Near m/z 475.0551
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000053277 Unreliable 475.0633 475.0633 ~ 475.0633
MzDiff: none
Protogonyautoxin I (BioDeep_00000013203)
Formula: C10H17N7O11S2 (475.0427)
2.73 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000017583 Unreliable 475.061 475.061 ~ 475.061
MzDiff: none
3-[(2r)-5',6'-dihydroxy-5-methyl-3-oxospiro[furan-2,1'-inden]-2'-yl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione (BioDeep_00002133681)
Formula: C25H14O10 (474.0587)
2.04 (100%) Vitis vinifera
[PO:0009087] mesocarp
MSI_000065963 Unreliable 475.0548 475.0548 ~ 475.0548
MzDiff: none
m-Trigallic acid (BioDeep_00000026668)
Formula: C21H14O13 (474.0434)
0.97 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 10 Sample Hits
Metabolite Species Sample
3-[(2r)-5',6'-dihydroxy-5-methyl-3-oxospiro[furan-2,1'-inden]-2'-yl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione

Formula: C25H14O10 (474.0587)
Adducts: [M+H]+ (Ppm: 10.5)
Vitis vinifera (Fruit)
grape_dhb_164_1
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late

Diaryl ether

Formula: C21H21Cl3O6 (474.0404)
Adducts: [M+H]+ (Ppm: 8.5)
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.

Diaryl ether

Formula: C21H21Cl3O6 (474.0404)
Adducts: [M+H]+ (Ppm: 7.2)
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.

m-Trigallic acid

Formula: C21H14O13 (474.0434)
Adducts: [M+H]+ (Ppm: 13.9)
Mus musculus (Lung)
image2
Resolution: 40μm, 550x256

Description

Supplementary Figure S6. Ion distribution images for (a) [PC36:4+Na]+ (m/z 804.5514) and (b) [PC38:6+Na]+ (m/z 828.5515) obtained from mouse lung tissue collected 6 h after administration of D9- choline and U13C-DPPC–containing CHF5633. Parts-per-million (ppm) mass errors are indicated in parentheses. (c) Magnification of the boxed region in (a) with selected bronchiolar regions outlined in white boxes. (d) The corresponding H&E-stained tissue section with the same selected bronchiolar regions outlined in black boxes. These data demonstrate the co-localisation of the polyunsaturated lipids PC36:4 and PC38:6 with the bronchiolar regions of the lung. All MSI images were visualised using total ion current normalisation and hotspot removal (high quantile = 99%).

m-Trigallic acid

Formula: C21H14O13 (474.0434)
Adducts: [M+H]+ (Ppm: 10.5)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

m-Trigallic acid

Formula: C21H14O13 (474.0434)
Adducts: [M+H]+ (Ppm: 6.9)
Homo sapiens (colorectal adenocarcinoma)
80TopL, 50TopR, 70BottomL, 60BottomR-profile
Resolution: 17μm, 137x136

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

[3-Methoxy-2-phosphonooxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate

Formula: C18H22O12P2 (492.0586)
Adducts: [M+H-H2O]+ (Ppm: 1.1)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

m-Trigallic acid

Formula: C21H14O13 (474.0434)
Adducts: [M+H]+ (Ppm: 9.2)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

m-Trigallic acid

Formula: C21H14O13 (474.0434)
Adducts: [M+H]+ (Ppm: 8.6)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

m-Trigallic acid

Formula: C21H14O13 (474.0434)
Adducts: [M+H]+ (Ppm: 9.2)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description