M/Z: 794.5487
Hit 6 annotations: PC(18:2/22:6)_[M+H-2H2O]+; PG(a-17:0/18:1(12Z)-2OH(9,10))_[M-H2O+NH4]+; PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))_[M+H]+; PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))_[M+H-2H2O]+; DG(19:0/LTE4/0:0)_[M+H]+; 1,2-Di-O-palmitoyl-3-O-(6-sulfoquinovopyranosyl)glycerol_[M-H2O+NH4]+
- 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 794.5487
| 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_000047045 Unreliable | 794.5559 | 794.5559 ~ 794.5559 MzDiff: none |
Not Annotated | 2.93 (0%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
| 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_000047128 Unreliable | 794.5411 | 794.5411 ~ 794.5411 MzDiff: none |
PC(14:0/20:3(6,8,11)-OH(5)) (BioDeep_00000210678) Formula: C42H78NO9P (771.5414) |
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_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_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_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_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 |
| 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 |
Found 33 Sample Hits
| Metabolite | Species | Sample | |
|---|---|---|---|
| PC(18:2/22:6) Formula: C48H80NO8P (829.5621) Adducts: [M+H-2H2O]+ (Ppm: 3.1) |
Rattus norvegicus (Brain) |
Spectroswiss - sol_2x_br_2Resolution: 17μm, 488x193
|
|
| 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(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) Formula: C48H80NO8P (829.5621) Adducts: [M+H-2H2O]+ (Ppm: 2.1) |
Homo sapiens (esophagus) |
TO39TResolution: 17μm, 69x81
|
|
| 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). |
|
| 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). |
|
| 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
|
|
| PG(a-17:0/18:1(12Z)-2OH(9,10)) Formula: C41H79O12P (794.5309) Adducts: [M-H2O+NH4]+ (Ppm: 12.1) |
Homo sapiens (esophagus) |
LNTO29_16_3Resolution: 17μm, 108x107
|
|
| 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
|
|
| PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) Formula: C48H80NO8P (829.5621) Adducts: [M+H-2H2O]+ (Ppm: 0.5) |
Homo sapiens (esophagus) |
LNTO30_17_2Resolution: 75μm, 82x54
|
|
| 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) |
Homo sapiens (colorectal adenocarcinoma) |
240TopL, 210TopR, 230BottomL, 220BottomR-centroidResolution: 50μm, 142x141
|
|
| 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
|
|
