M/Z: 729.5732
Hit 3 annotations: DG(11D3/11D5/0:0)_[M+H]+
; SM(d18:1/18:1(9Z))_[M+H]+
; Ubiquinol 8_[M+H]+
- 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 14 Reference Ions Near m/z 729.5732
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000043142 Reliable | 729.5654 | 729.565 ~ 729.5659 MzDiff: 3.8 ppm |
PC(14:0/18:2(9Z,12Z)) (BioDeep_00000019199) Formula: C40H76NO8P (729.5308) |
14.83 (68%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000043218 Reliable | 729.5655 | 729.5653 ~ 729.5659 MzDiff: 2.6 ppm |
PC(14:0/18:2(9Z,12Z)) (BioDeep_00000019199) Formula: C40H76NO8P (729.5308) |
5.23 (75%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000056684 Reliable | 729.5637 | 729.5636 ~ 729.5639 MzDiff: 0.9 ppm |
PC(14:0/18:2(9Z,12Z)) (BioDeep_00000019199) Formula: C40H76NO8P (729.5308) |
7.65 (75%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000057390 Unreliable | 729.5637 | 729.5636 ~ 729.5639 MzDiff: 0.9 ppm |
PC(14:0/18:2(9Z,12Z)) (BioDeep_00000019199) Formula: C40H76NO8P (729.5308) |
1.17 (100%) | Homo sapiens [UBERON:0007779] transudate |
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_000065437 Unreliable | 729.5641 | 729.5641 ~ 729.5641 MzDiff: none |
PC(14:0/18:2(9Z,12Z)) (BioDeep_00000019199) Formula: C40H76NO8P (729.5308) |
1.92 (100%) | Homo sapiens [UBERON:0001155] colon |
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 |
MSI_000056337 Unavailable | 729.5659 | 729.5659 ~ 729.5659 MzDiff: none |
DG(11D3/11D5/0:0) (BioDeep_00000108725) Formula: C45H76O7 (728.5591) |
-0.67 (100%) | Homo sapiens [UBERON:0007779] transudate |
Found 8 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
DG(11D3/11D5/0:0) Formula: C45H76O7 (728.5591) Adducts: [M+H]+ (Ppm: 10.8) |
Mus musculus (Lung) |
image1Resolution: 40μm, 187x165
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) |
image3Resolution: 40μm, 146x190
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) |
image4Resolution: 40μm, 162x156
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. |
|
Ubiquinol 8 Formula: C49H76O4 (728.5743) Adducts: [M+H]+ (Ppm: 17.7) |
Homo sapiens (colorectal adenocarcinoma) |
80TopL, 50TopR, 70BottomL, 60BottomR-profileResolution: 17μm, 137x136
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-profileResolution: 17μm, 147x131
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-profileResolution: 17μm, 157x136
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-profileResolution: 17μm, 142x136
|
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DG(11D3/11D5/0:0) Formula: C45H76O7 (728.5591) Adducts: [M+H]+ (Ppm: 2.8) |
Homo sapiens (esophagus) |
LNTO30_7_1Resolution: 75μm, 69x68
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