- 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 15 Reference Ions Near m/z 794.5515
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000043052 Reliable | 794.5483 | 794.548 ~ 794.549 MzDiff: 4.0 ppm |
PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000029703) Formula: C48H80NO8P (829.5621) |
9.91 (67%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000052335 Unreliable | 794.544 | 794.544 ~ 794.544 MzDiff: none |
PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000210656) Formula: C44H76NO9P (793.5257) |
2.18 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000047127 Unreliable | 794.5485 | 794.5485 ~ 794.5485 MzDiff: none |
PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000210656) Formula: C44H76NO9P (793.5257) |
2.75 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000051784 Unreliable | 794.5515 | 794.5515 ~ 794.5515 MzDiff: none |
PG(a-17:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000195788) Formula: C41H79O12P (794.5309) |
2.46 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000047045 Unreliable | 794.5559 | 794.5559 ~ 794.5559 MzDiff: none |
Not Annotated | 2.93 (0%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000051786 Unreliable | 794.5591 | 794.5591 ~ 794.5591 MzDiff: none |
Not Annotated | 2.46 (0%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000056717 Unreliable | 794.5454 | 794.5452 ~ 794.5456 MzDiff: 1.7 ppm |
PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000210656) Formula: C44H76NO9P (793.5257) |
2.94 (50%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000065632 Unreliable | 794.547 | 794.547 ~ 794.547 MzDiff: none |
PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000210656) Formula: C44H76NO9P (793.5257) |
1.61 (100%) | Homo sapiens [UBERON:0001155] colon |
MSI_000043522 Unreliable | 794.5497 | 794.5497 ~ 794.5497 MzDiff: none |
DG(19:0/LTE4/0:0) (BioDeep_00000221086) Formula: C45H79NO8S (793.5526) |
1.51 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000056840 Unreliable | 794.5445 | 794.5445 ~ 794.5445 MzDiff: none |
PG(a-17:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000195788) Formula: C41H79O12P (794.5309) |
2.03 (100%) | Homo sapiens [UBERON:0007779] transudate |
MSI_000002796 Unavailable | 794.5458 | 794.5458 ~ 794.5458 MzDiff: none |
PC(18:2/22:6) (BioDeep_00001979814) Formula: C48H80NO8P (829.5621) |
-0.44 (100%) | Rattus norvegicus [UBERON:0001950] neocortex |
MSI_000003446 Unavailable | 794.5458 | 794.5458 ~ 794.5458 MzDiff: none |
PC(18:2/22:6) (BioDeep_00001979814) Formula: C48H80NO8P (829.5621) |
-0.45 (100%) | Rattus norvegicus [UBERON:0002037] cerebellum |
MSI_000004733 Unreliable | 794.5458 | 794.5458 ~ 794.5458 MzDiff: none |
PC(18:2/22:6) (BioDeep_00001979814) Formula: C48H80NO8P (829.5621) |
2.38 (100%) | Rattus norvegicus [UBERON:0002298] brainstem |
MSI_000005673 Unavailable | 794.5458 | 794.5458 ~ 794.5458 MzDiff: none |
PC(18:2/22:6) (BioDeep_00001979814) Formula: C48H80NO8P (829.5621) |
-0.45 (100%) | Rattus norvegicus [UBERON:0002435] striatum |
MSI_000055679 Unreliable | 794.547 | 794.547 ~ 794.547 MzDiff: none |
PG(a-17:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000195788) Formula: C41H79O12P (794.5309) |
1.05 (100%) | Homo sapiens [UBERON:0007779] transudate |
Found 32 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
DG(19:0/LTE4/0:0) Formula: C45H79NO8S (793.5526) Adducts: [M+H]+ (Ppm: 0.9) |
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. |
|
PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) Formula: C48H80NO8P (829.5621) Adducts: [M+H-2H2O]+ (Ppm: 13.9) |
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. |
|
PG(a-17:0/18:1(12Z)-2OH(9,10)) Formula: C41H79O12P (794.5309) Adducts: [M-H2O+NH4]+ (Ppm: 8.9) |
Homo sapiens (esophagus) |
LNTO22_1_3Resolution: 75μm, 121x68
|
|
PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C44H76NO9P (793.5257) Adducts: [M+H]+ (Ppm: 15.3) |
Homo sapiens (esophagus) |
LNTO22_1_4Resolution: 17μm, 82x80
|
|
PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) Formula: C48H80NO8P (829.5621) Adducts: [M+H-2H2O]+ (Ppm: 1.5) |
Homo sapiens (esophagus) |
LNTO29_16_2Resolution: 17μm, 95x101
|
|
PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) Formula: C48H80NO8P (829.5621) Adducts: [M+H-2H2O]+ (Ppm: 1.3) |
Homo sapiens (esophagus) |
TO42TResolution: 17μm, 69x81
|
|
DG(19:0/LTE4/0:0) Formula: C45H79NO8S (793.5526) Adducts: [M+H]+ (Ppm: 12.8) |
Homo sapiens (esophagus) |
LNTO22_1_9Resolution: 75μm, 89x74
|
|
PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C44H76NO9P (793.5257) Adducts: [M+H]+ (Ppm: 19.5) |
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). |
|
m/z_794.5559 Formula: - (n/a) Adducts: (Ppm: 0) |
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). |
|
PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) Formula: C48H80NO8P (829.5621) Adducts: [M+H-2H2O]+ (Ppm: 0.3) |
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_794.556 Formula: - (n/a) Adducts: (Ppm: 0) |
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). |
|
PG(a-17:0/18:1(12Z)-2OH(9,10)) Formula: C41H79O12P (794.5309) Adducts: [M-H2O+NH4]+ (Ppm: 3.3) |
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). |
|
PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) Formula: C48H80NO8P (829.5621) Adducts: [M+H-2H2O]+ (Ppm: 2.8) |
Homo sapiens (NA) |
160TopL,130TopR,150BottomL,140BottomR-profileResolution: 17μm, 142x136
|
|
PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) Formula: C48H80NO8P (829.5621) Adducts: [M+H-2H2O]+ (Ppm: 1) |
Homo sapiens (esophagus) |
LNTO26_7_1Resolution: 17μm, 75x74
|
|
PG(a-17:0/18:1(12Z)-2OH(9,10)) Formula: C41H79O12P (794.5309) Adducts: [M-H2O+NH4]+ (Ppm: 9) |
Homo sapiens (esophagus) |
LNTO26_7_2Resolution: 17μm, 135x101
|
|
PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C44H76NO9P (793.5257) Adducts: [M+H]+ (Ppm: 18.7) |
Homo sapiens (esophagus) |
LNTO26_7_3Resolution: 75μm, 82x88
|
|
1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol Formula: C41H78O12S (794.5214) Adducts: [M-H2O+NH4]+ (Ppm: 1.2) |
Homo sapiens (esophagus) |
TO40TResolution: 17μm, 82x74
|
|
PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) Formula: C48H80NO8P (829.5621) Adducts: [M+H-2H2O]+ (Ppm: 0.6) |
Homo sapiens (esophagus) |
TO31TResolution: 75μm, 56x54
|
|
PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) Formula: C48H80NO8P (829.5621) Adducts: [M+H-2H2O]+ (Ppm: 0.9) |
Homo sapiens (esophagus) |
TO29TResolution: 75μm, 56x48
|
|
PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C44H76NO9P (793.5257) Adducts: [M+H]+ (Ppm: 17.8) |
Homo sapiens (esophagus) |
TO41TResolution: 75μm, 69x43
|
|
PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) Formula: C48H80NO8P (829.5621) Adducts: [M+H-2H2O]+ (Ppm: 0.2) |
Homo sapiens (esophagus) |
LNTO30_8M_5Resolution: 75μm, 56x54
|
|
PG(a-17:0/18:1(12Z)-2OH(9,10)) Formula: C41H79O12P (794.5309) Adducts: [M-H2O+NH4]+ (Ppm: 7.7) |
Homo sapiens (esophagus) |
LNTO22_1_5Resolution: 75μm, 135x94
|
|
PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C44H76NO9P (793.5257) Adducts: [M+H]+ (Ppm: 19.7) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
|
|
PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) Formula: C48H80NO8P (829.5621) Adducts: [M+H-2H2O]+ (Ppm: 0.1) |
Homo sapiens (esophagus) |
LNTO22_1_8Resolution: 75μm, 69x61
|
|
PG(a-17:0/18:1(12Z)-2OH(9,10)) Formula: C41H79O12P (794.5309) Adducts: [M-H2O+NH4]+ (Ppm: 9.1) |
Homo sapiens (esophagus) |
LNTO22_2_1Resolution: 75μm, 89x88
|
|
PG(a-17:0/18:1(12Z)-2OH(9,10)) Formula: C41H79O12P (794.5309) Adducts: [M-H2O+NH4]+ (Ppm: 6.4) |
Homo sapiens (esophagus) |
LNTO22_2_2Resolution: 75μm, 135x94
|
|
PG(a-17:0/18:1(12Z)-2OH(9,10)) Formula: C41H79O12P (794.5309) Adducts: [M-H2O+NH4]+ (Ppm: 9.6) |
Homo sapiens (esophagus) |
LNTO26_16_1Resolution: 75μm, 95x88
|
|
PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) Formula: C48H80NO8P (829.5621) Adducts: [M+H-2H2O]+ (Ppm: 0.2) |
Homo sapiens (esophagus) |
LNTO29_18_2Resolution: 75μm, 62x68
|
|
PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C44H76NO9P (793.5257) Adducts: [M+H]+ (Ppm: 18.2) |
Homo sapiens (esophagus) |
LNTO30_7_2Resolution: 75μm, 82x68
|
|
PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C44H76NO9P (793.5257) Adducts: [M+H]+ (Ppm: 18.9) |
Homo sapiens (colorectal adenocarcinoma) |
200TopL, 170TopR, 190BottomL, 180BottomR-centroidResolution: 50μm, 132x126
|
|
PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C44H76NO9P (793.5257) Adducts: [M+H]+ (Ppm: 17.6) |
Homo sapiens (colorectal adenocarcinoma) |
160TopL,130TopR,150BottomL,140BottomR-centroidResolution: 50μm, 142x136
|
|
PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C44H76NO9P (793.5257) Adducts: [M+H]+ (Ppm: 18.2) |
Homo sapiens (colorectal adenocarcinoma) |
120TopL, 90TopR, 110BottomL, 100BottomR-centroidResolution: 50μm, 132x136
|
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