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 790.58
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006354 Reliable 790.5744 790.5742 ~ 790.5746
MzDiff: 2.0 ppm
PS(18:0/18:1(9Z)) (BioDeep_00000019314)
Formula: C42H80NO10P (789.552)
10.68 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000010174 Unavailable 790.5722 790.5722 ~ 790.5722
MzDiff: none
PS(18:0/18:1(9Z)) (BioDeep_00000019314)
Formula: C42H80NO10P (789.552)
-0.48 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000026663 Unreliable 790.5728 790.5728 ~ 790.5728
MzDiff: none
PS(18:0/18:1(9Z)) (BioDeep_00000019314)
Formula: C42H80NO10P (789.552)
1.79 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000027057 Unreliable 790.574 790.574 ~ 790.574
MzDiff: none
PS(18:0/18:1(9Z)) (BioDeep_00000019314)
Formula: C42H80NO10P (789.552)
1.78 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000044392 Unavailable 790.5727 790.5727 ~ 790.5727
MzDiff: none
PC(16:0/22:5) (BioDeep_00000018528)
Formula: C46H82NO8P (807.5778)
-0.12 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb

Found 7 Sample Hits
Metabolite Species Sample
SM(d18:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C45H79N2O7P (790.5625)
Adducts: [M-H2O+NH4]+ (Ppm: 12.3)
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.

SM(d18:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C45H79N2O7P (790.5625)
Adducts: [M-H2O+NH4]+ (Ppm: 10.1)
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%).

CE(LTE4)

Formula: C50H81NO5S (807.5835)
Adducts: [M+H-H2O]+ (Ppm: 0.3)
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).

PS(18:0/18:1(9Z))

Formula: C42H80NO10P (789.552)
Adducts: [M+H]+ (Ppm: 16.9)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description

CE(LTE4)

Formula: C50H81NO5S (807.5835)
Adducts: [M+H-H2O]+ (Ppm: 3.4)
Homo sapiens (colorectal adenocarcinoma)
520TopL, 490TopR, 510BottomL, 500BottomR-profile
Resolution: 17μm, 147x131

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).

CE(LTE4)

Formula: C50H81NO5S (807.5835)
Adducts: [M+H-H2O]+ (Ppm: 1.2)
Homo sapiens (colorectal adenocarcinoma)
439TopL, 409TopR, 429BottomL, 419BottomR-profile
Resolution: 17μm, 157x136

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).

SM(d18:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C45H79N2O7P (790.5625)
Adducts: [M-H2O+NH4]+ (Ppm: 12.7)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description