- 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 746.5156
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000043125 Reliable | 746.5153 | 746.515 ~ 746.5159 MzDiff: 3.9 ppm |
PE(P-16:0/20:4) (BioDeep_00000031952) Formula: C41H74NO7P (723.5203) |
10.62 (60%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000043835 Reliable | 746.5153 | 746.515 ~ 746.5159 MzDiff: 3.9 ppm |
PE(P-16:0/20:4) (BioDeep_00000031952) Formula: C41H74NO7P (723.5203) |
7.69 (64%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000043259 Reliable | 746.5146 | 746.5141 ~ 746.5149 MzDiff: 3.5 ppm |
PE(P-16:0/20:4) (BioDeep_00000031952) Formula: C41H74NO7P (723.5203) |
7.27 (62%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000046931 Unreliable | 746.5088 | 746.5088 ~ 746.5088 MzDiff: none |
PS(15:0/18:2(9Z,12Z)) (BioDeep_00000104685) Formula: C39H72NO10P (745.4894) |
3.12 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000046967 Unreliable | 746.5156 | 746.5156 ~ 746.5156 MzDiff: none |
2-[[2-[[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate (BioDeep_00000175799) Formula: C44H67N5O5 (745.5142) |
3.09 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000047058 Unreliable | 746.5224 | 746.5224 ~ 746.5224 MzDiff: none |
PC(14:0/18:1(12Z)-O(9S,10R)) (BioDeep_00000210636) Formula: C40H76NO9P (745.5257) |
2.91 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000051791 Unreliable | 746.5153 | 746.5153 ~ 746.5153 MzDiff: none |
2-[[2-[[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate (BioDeep_00000175799) Formula: C44H67N5O5 (745.5142) |
2.45 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000051954 Unreliable | 746.5221 | 746.5221 ~ 746.5221 MzDiff: none |
PC(14:0/18:1(12Z)-O(9S,10R)) (BioDeep_00000210636) Formula: C40H76NO9P (745.5257) |
2.37 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000052023 Unreliable | 746.5084 | 746.5084 ~ 746.5084 MzDiff: none |
PS(15:0/18:2(9Z,12Z)) (BioDeep_00000104685) Formula: C39H72NO10P (745.4894) |
2.35 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000056708 Unreliable | 746.5117 | 746.5115 ~ 746.5118 MzDiff: 1.5 ppm |
2-[[2-[[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate (BioDeep_00000175799) Formula: C44H67N5O5 (745.5142) |
2.94 (50%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000065302 Unreliable | 746.514 | 746.514 ~ 746.514 MzDiff: none |
PE(P-16:0/20:4) (BioDeep_00000031952) Formula: C41H74NO7P (723.5203) |
2.54 (100%) | Homo sapiens [UBERON:0001155] colon |
MSI_000026426 Unreliable | 746.5069 | 746.5069 ~ 746.5069 MzDiff: none |
2-[[2-[[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate (BioDeep_00000175799) Formula: C44H67N5O5 (745.5142) |
1.79 (100%) | Mus musculus [UBERON:0002048] lung |
MSI_000026984 Unreliable | 746.5124 | 746.5124 ~ 746.5124 MzDiff: none |
2-[[2-[[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate (BioDeep_00000175799) Formula: C44H67N5O5 (745.5142) |
1.78 (100%) | Mus musculus [UBERON:0002048] lung |
MSI_000056173 Unavailable | 746.5162 | 746.5162 ~ 746.5162 MzDiff: none |
PE(P-16:0/20:4) (BioDeep_00000031952) Formula: C41H74NO7P (723.5203) |
-0.57 (100%) | Homo sapiens [UBERON:0007779] transudate |
Found 40 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
2-[[2-[[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate Formula: C44H67N5O5 (745.5142) Adducts: [M+H]+ (Ppm: 10) |
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. |
|
Narlaprevir Formula: C36H61N5O7S (707.4291) Adducts: [M+K]+ (Ppm: 18.2) |
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. |
|
2-[[2-[[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate Formula: C44H67N5O5 (745.5142) Adducts: [M+H]+ (Ppm: 12.1) |
Mus musculus (Lung) |
image5Resolution: 40μm, 163x183
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. |
|
2-[[2-[[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate Formula: C44H67N5O5 (745.5142) Adducts: [M+H]+ (Ppm: 8.7) |
Homo sapiens (esophagus) |
LNTO22_1_3Resolution: 75μm, 121x68
|
|
2-[[2-[[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate Formula: C44H67N5O5 (745.5142) Adducts: [M+H]+ (Ppm: 13.4) |
Homo sapiens (esophagus) |
LNTO22_1_4Resolution: 17μm, 82x80
|
|
PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 5.9) |
Homo sapiens (esophagus) |
LNTO29_16_2Resolution: 17μm, 95x101
|
|
PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 4.4) |
Homo sapiens (esophagus) |
TO42TResolution: 17μm, 69x81
|
|
PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 8.6) |
Homo sapiens (esophagus) |
LNTO22_1_9Resolution: 75μm, 89x74
|
|
PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 5.5) |
Homo sapiens (esophagus) |
LNTO30_8M_1Resolution: 17μm, 69x54
|
|
PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 4.7) |
Homo sapiens (esophagus) |
TO39TResolution: 17μm, 69x81
|
|
2-[[2-[[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate Formula: C44H67N5O5 (745.5142) Adducts: [M+H]+ (Ppm: 7.9) |
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). |
|
2-[[2-[[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate Formula: C44H67N5O5 (745.5142) Adducts: [M+H]+ (Ppm: 7.6) |
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). |
|
2-[[2-[[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate Formula: C44H67N5O5 (745.5142) Adducts: [M+H]+ (Ppm: 8.3) |
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). |
|
2-[[2-[[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate Formula: C44H67N5O5 (745.5142) Adducts: [M+H]+ (Ppm: 9.9) |
Homo sapiens (NA) |
160TopL,130TopR,150BottomL,140BottomR-profileResolution: 17μm, 142x136
|
|
PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 5.2) |
Homo sapiens (esophagus) |
LNTO29_16_3Resolution: 17μm, 108x107
|
|
PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 7.7) |
Homo sapiens (esophagus) |
LNTO26_7_1Resolution: 17μm, 75x74
|
|
PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 9) |
Homo sapiens (esophagus) |
LNTO26_7_2Resolution: 17μm, 135x101
|
|
PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 7.3) |
Homo sapiens (esophagus) |
LNTO26_7_3Resolution: 75μm, 82x88
|
|
PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 3.1) |
Homo sapiens (esophagus) |
TO40TResolution: 17μm, 82x74
|
|
PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 5.4) |
Homo sapiens (esophagus) |
TO31TResolution: 75μm, 56x54
|
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PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 7) |
Homo sapiens (esophagus) |
TO29TResolution: 75μm, 56x48
|
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PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 6.5) |
Homo sapiens (esophagus) |
TO41TResolution: 75μm, 69x43
|
|
PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 5.9) |
Homo sapiens (esophagus) |
LNTO30_8M_2Resolution: 75μm, 108x68
|
|
PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 5.6) |
Homo sapiens (esophagus) |
LNTO30_8M_3Resolution: 75μm, 69x54
|
|
PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 6.2) |
Homo sapiens (esophagus) |
LNTO30_8M_4Resolution: 75μm, 62x48
|
|
PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 6.1) |
Homo sapiens (esophagus) |
LNTO30_8M_5Resolution: 75μm, 56x54
|
|
PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 5.9) |
Homo sapiens (esophagus) |
LNTO30_17_2Resolution: 75μm, 82x54
|
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PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 8.1) |
Homo sapiens (esophagus) |
LNTO22_1_5Resolution: 75μm, 135x94
|
|
2-[[2-[[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate Formula: C44H67N5O5 (745.5142) Adducts: [M+H]+ (Ppm: 8.8) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
|
|
2-[[2-[[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate Formula: C44H67N5O5 (745.5142) Adducts: [M+H]+ (Ppm: 9.1) |
Homo sapiens (esophagus) |
LNTO22_1_8Resolution: 75μm, 69x61
|
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PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 7.7) |
Homo sapiens (esophagus) |
LNTO22_2_1Resolution: 75μm, 89x88
|
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2-[[2-[[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate Formula: C44H67N5O5 (745.5142) Adducts: [M+H]+ (Ppm: 8.1) |
Homo sapiens (esophagus) |
LNTO22_2_2Resolution: 75μm, 135x94
|
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PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 7.4) |
Homo sapiens (esophagus) |
LNTO26_16_1Resolution: 75μm, 95x88
|
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2-[[2-[[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate Formula: C44H67N5O5 (745.5142) Adducts: [M+H]+ (Ppm: 10.9) |
Homo sapiens (esophagus) |
LNTO29_18_2Resolution: 75μm, 62x68
|
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PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 5.9) |
Homo sapiens (esophagus) |
LNTO30_7_1Resolution: 75μm, 69x68
|
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PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 5.6) |
Homo sapiens (esophagus) |
LNTO30_7_2Resolution: 75μm, 82x68
|
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PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 5.4) |
Homo sapiens (colorectal adenocarcinoma) |
240TopL, 210TopR, 230BottomL, 220BottomR-centroidResolution: 50μm, 142x141
|
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PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 6.1) |
Homo sapiens (colorectal adenocarcinoma) |
200TopL, 170TopR, 190BottomL, 180BottomR-centroidResolution: 50μm, 132x126
|
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PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 5.1) |
Homo sapiens (colorectal adenocarcinoma) |
160TopL,130TopR,150BottomL,140BottomR-centroidResolution: 50μm, 142x136
|
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PE(P-16:0/20:4) Formula: C41H74NO7P (723.5203) Adducts: [M+Na]+ (Ppm: 5.9) |
Homo sapiens (colorectal adenocarcinoma) |
120TopL, 90TopR, 110BottomL, 100BottomR-centroidResolution: 50μm, 132x136
|
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