M/Z: 856.5545
Hit 3 annotations: PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))_[M+H]+
; PS(20:0/20:3(5Z,8Z,11Z)-O(14R,15S))_[M+H]+
; PC(16:0/PGF1alpha)_[M+Na]+
- 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 19 Reference Ions Near m/z 856.5545
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000056787 Reliable | 856.5484 | 856.5481 ~ 856.549 MzDiff: 3.8 ppm |
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098) Formula: C49H78NO9P (855.5414) |
4.92 (88%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000065335 Unreliable | 856.5476 | 856.5471 ~ 856.5478 MzDiff: 2.8 ppm |
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098) Formula: C49H78NO9P (855.5414) |
3.64 (100%) | Homo sapiens [UBERON:0001155] colon |
MSI_000051843 Unreliable | 856.5471 | 856.5471 ~ 856.5471 MzDiff: none |
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098) Formula: C49H78NO9P (855.5414) |
2.42 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000052034 Unreliable | 856.5564 | 856.5564 ~ 856.5564 MzDiff: none |
PS(20:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000207037) Formula: C46H82NO11P (855.5625) |
2.34 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000001217 Unavailable | 856.5522 | 856.5522 ~ 856.5522 MzDiff: none |
Not Annotated | -0.49 (0%) | Mus musculus [UBERON:0001224] renal pelvis |
MSI_000001375 Unavailable | 856.5589 | 856.5589 ~ 856.5589 MzDiff: none |
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098) Formula: C49H78NO9P (855.5414) |
-0.63 (100%) | Mus musculus [UBERON:0001224] renal pelvis |
MSI_000001378 Unavailable | 856.5468 | 856.5468 ~ 856.5468 MzDiff: none |
PE(20:3(5Z,8Z,11Z)/6 keto-PGF1alpha) (BioDeep_00000187154) Formula: C45H78NO12P (855.5261) |
-0.64 (100%) | Mus musculus [UBERON:0001224] renal pelvis |
MSI_000001616 Unavailable | 856.5522 | 856.5522 ~ 856.5522 MzDiff: none |
Not Annotated | -0.43 (0%) | Mus musculus [UBERON:0001225] cortex of kidney |
MSI_000001833 Unavailable | 856.5589 | 856.5589 ~ 856.5589 MzDiff: none |
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098) Formula: C49H78NO9P (855.5414) |
-0.64 (100%) | Mus musculus [UBERON:0001225] cortex of kidney |
MSI_000001849 Unavailable | 856.5468 | 856.5468 ~ 856.5468 MzDiff: none |
PE(20:3(5Z,8Z,11Z)/6 keto-PGF1alpha) (BioDeep_00000187154) Formula: C45H78NO12P (855.5261) |
-0.66 (100%) | Mus musculus [UBERON:0001225] cortex of kidney |
MSI_000001923 Unreliable | 856.5522 | 856.5522 ~ 856.5522 MzDiff: none |
Not Annotated | 2.44 (0%) | Mus musculus [UBERON:0001293] outer medulla of kidney |
MSI_000001946 Unreliable | 856.5589 | 856.5589 ~ 856.5589 MzDiff: none |
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098) Formula: C49H78NO9P (855.5414) |
0.11 (100%) | Mus musculus [UBERON:0001293] outer medulla of kidney |
MSI_000001952 Unavailable | 856.5468 | 856.5468 ~ 856.5468 MzDiff: none |
PE(20:3(5Z,8Z,11Z)/6 keto-PGF1alpha) (BioDeep_00000187154) Formula: C45H78NO12P (855.5261) |
-0.09 (100%) | Mus musculus [UBERON:0001293] outer medulla of kidney |
MSI_000002715 Unavailable | 856.5462 | 856.5462 ~ 856.5462 MzDiff: none |
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098) Formula: C49H78NO9P (855.5414) |
-0.36 (100%) | Rattus norvegicus [UBERON:0001950] neocortex |
MSI_000003397 Unavailable | 856.5462 | 856.5462 ~ 856.5462 MzDiff: none |
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098) Formula: C49H78NO9P (855.5414) |
-0.37 (100%) | Rattus norvegicus [UBERON:0002037] cerebellum |
MSI_000004711 Unreliable | 856.5462 | 856.5462 ~ 856.5462 MzDiff: none |
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098) Formula: C49H78NO9P (855.5414) |
2.47 (100%) | Rattus norvegicus [UBERON:0002298] brainstem |
MSI_000005652 Unavailable | 856.5462 | 856.5462 ~ 856.5462 MzDiff: none |
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098) Formula: C49H78NO9P (855.5414) |
-0.38 (100%) | Rattus norvegicus [UBERON:0002435] striatum |
MSI_000030699 Unreliable | 856.5448 | 856.5448 ~ 856.5448 MzDiff: none |
Not Annotated | 1.22 (0%) | Macropus giganteus [UBERON:0003027] cingulate cortex |
MSI_000044849 Unavailable | 856.5465 | 856.5465 ~ 856.5465 MzDiff: none |
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000209098) Formula: C49H78NO9P (855.5414) |
-0.5 (100%) | Rattus norvegicus [UBERON:0002264] olfactory bulb |
Found 10 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
m/z_856.5522 Formula: - (n/a) Adducts: (Ppm: 0) |
Mus musculus (Kidney) |
FULL_MS_centriod_CHCA_20210819Resolution: 17μm, 638x437
AP-MALDI instrument demo test, mass spectrum scan in centroid mode. |
|
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C49H78NO9P (855.5414) Adducts: [M+H]+ (Ppm: 15.1) |
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(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C49H78NO9P (855.5414) Adducts: [M+H]+ (Ppm: 2.6) |
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). |
|
PS(20:0/20:3(5Z,8Z,11Z)-O(14R,15S)) Formula: C46H82NO11P (855.5625) Adducts: [M+H]+ (Ppm: 15.6) |
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). |
|
PS(20:0/20:3(5Z,8Z,11Z)-O(14R,15S)) Formula: C46H82NO11P (855.5625) Adducts: [M+H]+ (Ppm: 15.6) |
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). |
|
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C49H78NO9P (855.5414) Adducts: [M+H]+ (Ppm: 6.8) |
Homo sapiens (NA) |
160TopL,130TopR,150BottomL,140BottomR-profileResolution: 17μm, 142x136
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|
PC(16:0/PGF1alpha) Formula: C44H84NO11P (833.5782) Adducts: [M+Na]+ (Ppm: 17.8) |
Homo sapiens (esophagus) |
LNTO22_1_5Resolution: 75μm, 135x94
|
|
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C49H78NO9P (855.5414) Adducts: [M+H]+ (Ppm: 2.4) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
|
|
PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C49H78NO9P (855.5414) Adducts: [M+H]+ (Ppm: 0.2) |
Homo sapiens (esophagus) |
LNTO26_16_1Resolution: 75μm, 95x88
|
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PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C49H78NO9P (855.5414) Adducts: [M+H]+ (Ppm: 6.2) |
Mus musculus (brain) |
Brain02_Bregma-3-88Resolution: 17μm, 288x282
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