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 8 Reference Ions Near m/z 729.577
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000047477 Unreliable 729.5754 729.5754 ~ 729.5754
MzDiff: none
Not Annotated 2.27 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047580 Unreliable 729.5687 729.5687 ~ 729.5687
MzDiff: none
Ubiquinol 8 (BioDeep_00000027682)
Formula: C49H76O4 (728.5743)
2.23 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052628 Unreliable 729.5687 729.5687 ~ 729.5687
MzDiff: none
Ubiquinol 8 (BioDeep_00000027682)
Formula: C49H76O4 (728.5743)
1.07 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052630 Unreliable 729.5753 729.5753 ~ 729.5753
MzDiff: none
Not Annotated 1.02 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000020794 729.5814 729.5814 ~ 729.5814
MzDiff: none
Not Annotated 3.53 (0%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000026080 Unreliable 729.581 729.581 ~ 729.581
MzDiff: none
SM(d18:1/18:1(9Z)) (BioDeep_00000019336)
Formula: C41H81N2O6P (728.5832)
1.91 (100%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000026126 Unreliable 729.5732 729.5732 ~ 729.5732
MzDiff: none
DG(11D3/11D5/0:0) (BioDeep_00000108725)
Formula: C45H76O7 (728.5591)
1.88 (100%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000027181 Unreliable 729.577 729.577 ~ 729.577
MzDiff: none
SM(d18:1/18:1(9Z)) (BioDeep_00000019336)
Formula: C41H81N2O6P (728.5832)
1.77 (100%) Mus musculus
[UBERON:0002048] lung

Found 9 Sample Hits
Metabolite Species Sample
DG(11D3/11D5/0:0)

Formula: C45H76O7 (728.5591)
Adducts: [M+H]+ (Ppm: 10.8)
Mus musculus (Lung)
image1
Resolution: 40μm, 187x165

Description

Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. 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. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin. Fig 1-3, Fig S1-S3, S5

DG(11D3/11D5/0:0)

Formula: C45H76O7 (728.5591)
Adducts: [M+H]+ (Ppm: 9.4)
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.

SM(d18:1/18:1(9Z))

Formula: C41H81N2O6P (728.5832)
Adducts: [M+H]+ (Ppm: 13)
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(d18:1/18:1(9Z))

Formula: C41H81N2O6P (728.5832)
Adducts: [M+H]+ (Ppm: 18.5)
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_729.5754

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

m/z_729.5819

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

Ubiquinol 8

Formula: C49H76O4 (728.5743)
Adducts: [M+H]+ (Ppm: 8)
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).

m/z_729.5753

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

m/z_729.5742

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description