M/Z: 728.5594
Hit 3 annotations: PE(P-18:0/18:2(9Z,12Z))_[M+H]+
; DG(11D3/11D5/0:0)_[M]+
; SM(d17:1/18:1(12Z)-O(9S,10R))_[M]+
- 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 728.5594
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000043258 Reliable | 728.5614 | 728.561 ~ 728.5618 MzDiff: 3.1 ppm |
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969) Formula: C41H78NO7P (727.5516) |
16.54 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000057902 Reliable | 728.5604 | 728.56 ~ 728.5606 MzDiff: 2.3 ppm |
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969) Formula: C41H78NO7P (727.5516) |
14.89 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000057242 Unreliable | 728.5602 | 728.56 ~ 728.5605 MzDiff: 2.0 ppm |
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969) Formula: C41H78NO7P (727.5516) |
1.62 (100%) | Homo sapiens [UBERON:0007779] transudate |
MSI_000043777 Unreliable | 728.5623 | 728.5623 ~ 728.5624 MzDiff: 0.2 ppm |
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969) Formula: C41H78NO7P (727.5516) |
2.63 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000047378 Unreliable | 728.5653 | 728.5653 ~ 728.5653 MzDiff: none |
Cerebroside B (BioDeep_00000021225) Formula: C41H77NO9 (727.5598) |
2.34 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000047647 Unreliable | 728.5521 | 728.5521 ~ 728.5521 MzDiff: none |
PC(18:4(6Z,9Z,12Z,15Z)/P-18:1(11Z)) (BioDeep_00000029523) Formula: C44H78NO7P (763.5516) |
2.2 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000047712 Unreliable | 728.5587 | 728.5587 ~ 728.5587 MzDiff: none |
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969) Formula: C41H78NO7P (727.5516) |
2.16 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000052622 Unreliable | 728.5686 | 728.5686 ~ 728.5686 MzDiff: none |
SM(d18:1/18:1(9Z)) (BioDeep_00000019336) Formula: C41H81N2O6P (728.5832) |
1.12 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000052637 Unreliable | 728.5554 | 728.5554 ~ 728.5554 MzDiff: none |
SM(d17:1/18:1(12Z)-O(9S,10R)) (BioDeep_00000215371) Formula: C40H77N2O7P (728.5468) |
0.97 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000043549 Unreliable | 728.5624 | 728.5624 ~ 728.5624 MzDiff: none |
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969) Formula: C41H78NO7P (727.5516) |
1.47 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000056726 Unreliable | 728.5583 | 728.5582 ~ 728.5584 MzDiff: 1.1 ppm |
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969) Formula: C41H78NO7P (727.5516) |
2.93 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000065282 Unreliable | 728.5598 | 728.5598 ~ 728.5598 MzDiff: none |
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969) Formula: C41H78NO7P (727.5516) |
1.43 (100%) | Homo sapiens [UBERON:0001155] colon |
MSI_000026773 Unreliable | 728.5653 | 728.5653 ~ 728.5653 MzDiff: none |
DG(11D3/11D5/0:0) (BioDeep_00000108725) Formula: C45H76O7 (728.5591) |
1.79 (100%) | Mus musculus [UBERON:0002048] lung |
MSI_000056189 Unavailable | 728.5623 | 728.5623 ~ 728.5623 MzDiff: none |
PE(P-18:0/18:2(9Z,12Z)) (BioDeep_00000031969) Formula: C41H78NO7P (727.5516) |
-0.57 (100%) | Homo sapiens [UBERON:0007779] transudate |
Found 38 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 10.5) |
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. |
|
DG(11D3/11D5/0:0) Formula: C45H76O7 (728.5591) Adducts: [M]+ (Ppm: 9.3) |
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. |
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 3.5) |
Homo sapiens (esophagus) |
LNTO22_1_3Resolution: 75μm, 121x68
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 0.9) |
Homo sapiens (esophagus) |
LNTO22_1_4Resolution: 17μm, 82x80
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 2.3) |
Homo sapiens (esophagus) |
LNTO29_16_2Resolution: 17μm, 95x101
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 0.9) |
Homo sapiens (esophagus) |
TO42TResolution: 17μm, 69x81
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 4.9) |
Homo sapiens (esophagus) |
LNTO22_1_9Resolution: 75μm, 89x74
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 1.9) |
Homo sapiens (esophagus) |
LNTO30_8M_1Resolution: 17μm, 69x54
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 0.8) |
Homo sapiens (esophagus) |
TO39TResolution: 17μm, 69x81
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 0.2) |
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). |
|
SM(d17:1/18:1(12Z)-O(9S,10R)) Formula: C40H77N2O7P (728.5468) Adducts: [M]+ (Ppm: 13.2) |
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). |
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 1.7) |
Homo sapiens (esophagus) |
LNTO29_16_3Resolution: 17μm, 108x107
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 3.7) |
Homo sapiens (esophagus) |
LNTO26_7_1Resolution: 17μm, 75x74
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 4.8) |
Homo sapiens (esophagus) |
LNTO26_7_2Resolution: 17μm, 135x101
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 3.4) |
Homo sapiens (esophagus) |
LNTO26_7_3Resolution: 75μm, 82x88
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 0.6) |
Homo sapiens (esophagus) |
TO40TResolution: 17μm, 82x74
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 1.9) |
Homo sapiens (esophagus) |
TO31TResolution: 75μm, 56x54
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 3.5) |
Homo sapiens (esophagus) |
TO29TResolution: 75μm, 56x48
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 2) |
Homo sapiens (esophagus) |
TO41TResolution: 75μm, 69x43
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 2.1) |
Homo sapiens (esophagus) |
LNTO30_8M_2Resolution: 75μm, 108x68
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 2) |
Homo sapiens (esophagus) |
LNTO30_8M_3Resolution: 75μm, 69x54
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 3) |
Homo sapiens (esophagus) |
LNTO30_8M_4Resolution: 75μm, 62x48
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 2.4) |
Homo sapiens (esophagus) |
LNTO30_8M_5Resolution: 75μm, 56x54
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 2.3) |
Homo sapiens (esophagus) |
LNTO30_17_2Resolution: 75μm, 82x54
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 4.1) |
Homo sapiens (esophagus) |
LNTO22_1_5Resolution: 75μm, 135x94
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 3.8) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 3.4) |
Homo sapiens (esophagus) |
LNTO22_1_8Resolution: 75μm, 69x61
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 3.2) |
Homo sapiens (esophagus) |
LNTO22_2_1Resolution: 75μm, 89x88
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 4.1) |
Homo sapiens (esophagus) |
LNTO22_2_2Resolution: 75μm, 135x94
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 3.5) |
Homo sapiens (esophagus) |
LNTO26_16_1Resolution: 75μm, 95x88
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 1.6) |
Homo sapiens (esophagus) |
LNTO29_18_2Resolution: 75μm, 62x68
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 2.3) |
Homo sapiens (esophagus) |
LNTO30_7_1Resolution: 75μm, 69x68
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 2.3) |
Homo sapiens (esophagus) |
LNTO30_7_2Resolution: 75μm, 82x68
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 1.6) |
Homo sapiens (colorectal adenocarcinoma) |
240TopL, 210TopR, 230BottomL, 220BottomR-centroidResolution: 50μm, 142x141
|
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PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 2.4) |
Homo sapiens (colorectal adenocarcinoma) |
200TopL, 170TopR, 190BottomL, 180BottomR-centroidResolution: 50μm, 132x126
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 1.3) |
Homo sapiens (colorectal adenocarcinoma) |
160TopL,130TopR,150BottomL,140BottomR-centroidResolution: 50μm, 142x136
|
|
PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 2) |
Homo sapiens (colorectal adenocarcinoma) |
120TopL, 90TopR, 110BottomL, 100BottomR-centroidResolution: 50μm, 132x136
|
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PE(P-18:0/18:2(9Z,12Z)) Formula: C41H78NO7P (727.5516) Adducts: [M+H]+ (Ppm: 0.1) |
Drosophila melanogaster (brain) |
Drosophila18Resolution: 5μm, 686x685
Sample information
Organism: Drosophila melanogaster
Organism part: Brain
Condition: Healthy
Sample preparation
Sample stabilisation: Frozen
Tissue modification: Frozen
MALDI matrix: 2,5-dihydroxybenzoic acid (DHB)
MALDI matrix application: TM sprayer
Solvent: Aceton/water
MS analysis
Polarity: Positive
Ionisation source: Prototype
Analyzer: Orbitrap
Pixel size: 5μm × 5μm
Annotation settings
m/z tolerance (ppm): 3
Analysis version: Original MSM
Pixel count: 469910
Imzml file size: 696.23 MB
Ibd file size: 814.11 MB |
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