- 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 11 Reference Ions Near m/z 861.56
| NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
|---|---|---|---|---|---|
| MSI_000057821 Reliable | 861.5505 | 861.55 ~ 861.5509 MzDiff: 3.6 ppm |
PI(18:1(9Z)/18:2(9Z,12Z)) (BioDeep_00000019308) Formula: C45H81O13P (860.5415) |
12.92 (100%) | Homo sapiens [UBERON:0001043] esophagus |
| MSI_000056913 Reliable | 861.5502 | 861.55 ~ 861.5507 MzDiff: 2.8 ppm |
PI(18:1(9Z)/18:2(9Z,12Z)) (BioDeep_00000019308) Formula: C45H81O13P (860.5415) |
1.45 (100%) | Homo sapiens [UBERON:0007779] transudate |
| MSI_000043316 Unreliable | 861.5523 | 861.552 ~ 861.5525 MzDiff: 1.8 ppm |
PI(18:1(9Z)/18:2(9Z,12Z)) (BioDeep_00000019308) Formula: C45H81O13P (860.5415) |
4.72 (100%) | Homo sapiens [UBERON:0001043] esophagus |
| MSI_000043515 Unreliable | 861.5524 | 861.5524 ~ 861.5525 MzDiff: 0.1 ppm |
PI(18:1(9Z)/18:2(9Z,12Z)) (BioDeep_00000019308) Formula: C45H81O13P (860.5415) |
2.68 (100%) | Homo sapiens [UBERON:0001043] esophagus |
| MSI_000047258 Unreliable | 861.5516 | 861.5516 ~ 861.5516 MzDiff: none |
PI(18:1(9Z)/18:2(9Z,12Z)) (BioDeep_00000019308) Formula: C45H81O13P (860.5415) |
2.47 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
| MSI_000047308 Unreliable | 861.56 | 861.56 ~ 861.56 MzDiff: none |
PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211694) Formula: C48H78NO9P (843.5414) |
2.41 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
| MSI_000047638 Unreliable | 861.5686 | 861.5686 ~ 861.5686 MzDiff: none |
PS(20:3(8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) (BioDeep_00000104989) Formula: C48H80NO10P (861.552) |
2.2 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
| MSI_000051973 Unreliable | 861.5534 | 861.5534 ~ 861.5534 MzDiff: none |
PI(18:1(9Z)/18:2(9Z,12Z)) (BioDeep_00000019308) Formula: C45H81O13P (860.5415) |
2.37 (100%) | Homo sapiens [UBERON:0001052] rectum |
| MSI_000052131 Unreliable | 861.5616 | 861.5616 ~ 861.5616 MzDiff: none |
PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211694) Formula: C48H78NO9P (843.5414) |
2.31 (100%) | Homo sapiens [UBERON:0001052] rectum |
| MSI_000026930 Unreliable | 861.5669 | 861.5669 ~ 861.5669 MzDiff: none |
PS(20:3(8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) (BioDeep_00000104989) Formula: C48H80NO10P (861.552) |
1.78 (100%) | Mus musculus [UBERON:0002048] lung |
| MSI_000055991 Unavailable | 861.5525 | 861.5525 ~ 861.5525 MzDiff: none |
PI(18:1(9Z)/18:2(9Z,12Z)) (BioDeep_00000019308) Formula: C45H81O13P (860.5415) |
-0.47 (100%) | Homo sapiens [UBERON:0007779] transudate |
Found 7 Sample Hits
| Metabolite | Species | Sample | |
|---|---|---|---|
| PS(20:3(8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) Formula: C48H80NO10P (861.552) Adducts: [M-H2O+NH4]+ (Ppm: 9) |
Mus musculus (Lung) |
image1Resolution: 40μm, 187x165
Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. 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. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin.
Fig 1-3, Fig S1-S3, S5 |
|
| PI(18:1(9Z)/18:2(9Z,12Z)) Formula: C45H81O13P (860.5415) Adducts: [M+H]+ (Ppm: 19.5) |
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. |
|
| PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C48H78NO9P (843.5414) Adducts: [M+NH4]+ (Ppm: 17.7) |
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). |
|
| PI(18:1/18:2) Formula: C45H81O13P (860.5415) Adducts: [M+H]+ (Ppm: 13.3) |
Mytilus edulis (mantle) |
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210Resolution: 10μm, 270x210
|
|
| PI(18:1/18:2) Formula: C45H81O13P (860.5415) Adducts: [M+H]+ (Ppm: 13.2) |
Mytilus edulis (mantle) |
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210Resolution: 10μm, 275x210
|
|
| PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C48H78NO9P (843.5414) Adducts: [M+NH4]+ (Ppm: 18.4) |
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). |
|
| PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C48H78NO9P (843.5414) Adducts: [M+NH4]+ (Ppm: 15.8) |
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). |
|
