- 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 9 Reference Ions Near m/z 881.52
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000043205 Reliable | 881.5205 | 881.52 ~ 881.5209 MzDiff: 3.7 ppm |
Maduramicin (BioDeep_00000025276) Formula: C47H80O17 (916.5395) |
7.55 (65%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000043418 Reliable | 881.5205 | 881.52 ~ 881.5209 MzDiff: 3.7 ppm |
Maduramicin (BioDeep_00000025276) Formula: C47H80O17 (916.5395) |
7.55 (65%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000056759 Unreliable | 881.5187 | 881.5185 ~ 881.5188 MzDiff: 1.2 ppm |
PI(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000201100) Formula: C47H79O14P (898.5207) |
4.86 (75%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000047388 Unreliable | 881.5254 | 881.5254 ~ 881.5254 MzDiff: none |
Maduramicin (BioDeep_00000025276) Formula: C47H80O17 (916.5395) |
2.33 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000047493 Unreliable | 881.5156 | 881.5156 ~ 881.5156 MzDiff: none |
PI(18:0/PGJ2) (BioDeep_00000201368) Formula: C47H81O15P (916.5313) |
2.27 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000051806 Unreliable | 881.5137 | 881.5137 ~ 881.5137 MzDiff: none |
PI(16:0/5-iso PGF2VI) (BioDeep_00000201068) Formula: C43H77O16P (880.4949) |
2.44 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000065523 Unreliable | 881.5193 | 881.5193 ~ 881.5193 MzDiff: none |
PI(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000201100) Formula: C47H79O14P (898.5207) |
1.83 (100%) | Homo sapiens [UBERON:0001155] colon |
MSI_000027089 Unreliable | 881.5169 | 881.5169 ~ 881.5169 MzDiff: none |
Maduramicin (BioDeep_00000025276) Formula: C47H80O17 (916.5395) |
1.77 (100%) | Mus musculus [UBERON:0002048] lung |
MSI_000057475 Unreliable | 881.5185 | 881.5185 ~ 881.5185 MzDiff: none |
PI(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000201100) Formula: C47H79O14P (898.5207) |
0.93 (100%) | Homo sapiens [UBERON:0007779] transudate |
Found 29 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
Maduramicin Formula: C47H80O17 (916.5395) Adducts: [M+H-2H2O]+ (Ppm: 12) |
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 |
|
PGP(18:0/20:3(5Z,8Z,11Z)) Formula: C44H82O13P2 (880.523) Adducts: [M+H]+ (Ppm: 14.1) |
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. |
|
Maduramicin Formula: C47H80O17 (916.5395) Adducts: [M+H-2H2O]+ (Ppm: 9.9) |
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. |
|
Maduramicin Formula: C47H80O17 (916.5395) Adducts: [M+H-2H2O]+ (Ppm: 6.2) |
Homo sapiens (esophagus) |
LNTO22_1_3Resolution: 75μm, 121x68
|
|
PI(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C47H79O14P (898.5207) Adducts: [M+H-H2O]+ (Ppm: 2) |
Homo sapiens (esophagus) |
LNTO29_16_2Resolution: 17μm, 95x101
|
|
Maduramicin Formula: C47H80O17 (916.5395) Adducts: [M+H-2H2O]+ (Ppm: 5.4) |
Homo sapiens (esophagus) |
LNTO22_1_9Resolution: 75μm, 89x74
|
|
PI(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C47H79O14P (898.5207) Adducts: [M+H-H2O]+ (Ppm: 1.3) |
Homo sapiens (esophagus) |
LNTO30_8M_1Resolution: 17μm, 69x54
|
|
PI(18:0/PGJ2) Formula: C47H81O15P (916.5313) Adducts: [M+H-2H2O]+ (Ppm: 2.1) |
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). |
|
Maduramicin Formula: C47H80O17 (916.5395) Adducts: [M+H-2H2O]+ (Ppm: 1.6) |
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). |
|
PI(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C47H79O14P (898.5207) Adducts: [M+H-H2O]+ (Ppm: 1.2) |
Homo sapiens (esophagus) |
LNTO29_16_3Resolution: 17μm, 108x107
|
|
Maduramicin Formula: C47H80O17 (916.5395) Adducts: [M+H-2H2O]+ (Ppm: 5.6) |
Homo sapiens (esophagus) |
LNTO26_7_1Resolution: 17μm, 75x74
|
|
PI(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C47H79O14P (898.5207) Adducts: [M+H-H2O]+ (Ppm: 2.8) |
Homo sapiens (esophagus) |
LNTO26_7_3Resolution: 75μm, 82x88
|
|
PGP(18:0/20:3(5Z,8Z,11Z)) Formula: C44H82O13P2 (880.523) Adducts: [M+H]+ (Ppm: 11.7) |
Homo sapiens (esophagus) |
TO29TResolution: 75μm, 56x48
|
|
PI(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C47H79O14P (898.5207) Adducts: [M+H-H2O]+ (Ppm: 1.6) |
Homo sapiens (esophagus) |
TO41TResolution: 75μm, 69x43
|
|
PI(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C47H79O14P (898.5207) Adducts: [M+H-H2O]+ (Ppm: 2.5) |
Homo sapiens (esophagus) |
LNTO30_8M_5Resolution: 75μm, 56x54
|
|
PI(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C47H79O14P (898.5207) Adducts: [M+H-H2O]+ (Ppm: 1.9) |
Homo sapiens (esophagus) |
LNTO30_17_2Resolution: 75μm, 82x54
|
|
Maduramicin Formula: C47H80O17 (916.5395) Adducts: [M+H-2H2O]+ (Ppm: 5.5) |
Homo sapiens (esophagus) |
LNTO22_1_5Resolution: 75μm, 135x94
|
|
PI(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C47H79O14P (898.5207) Adducts: [M+H-H2O]+ (Ppm: 3.3) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
|
|
Melilotoside C Formula: C47H78O16 (898.529) Adducts: [M+H-H2O]+ (Ppm: 6.2) |
Homo sapiens (esophagus) |
LNTO22_1_8Resolution: 75μm, 69x61
|
|
PI(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C47H79O14P (898.5207) Adducts: [M+H-H2O]+ (Ppm: 2.5) |
Homo sapiens (esophagus) |
LNTO22_2_1Resolution: 75μm, 89x88
|
|
Maduramicin Formula: C47H80O17 (916.5395) Adducts: [M+H-2H2O]+ (Ppm: 5.4) |
Homo sapiens (esophagus) |
LNTO22_2_2Resolution: 75μm, 135x94
|
|
PI(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C47H79O14P (898.5207) Adducts: [M+H-H2O]+ (Ppm: 3.1) |
Homo sapiens (esophagus) |
LNTO26_16_1Resolution: 75μm, 95x88
|
|
PGP(18:0/20:3(5Z,8Z,11Z)) Formula: C44H82O13P2 (880.523) Adducts: [M+H]+ (Ppm: 13.1) |
Homo sapiens (esophagus) |
LNTO29_18_2Resolution: 75μm, 62x68
|
|
PI(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C47H79O14P (898.5207) Adducts: [M+H-H2O]+ (Ppm: 2.5) |
Homo sapiens (esophagus) |
LNTO30_7_1Resolution: 75μm, 69x68
|
|
PI(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C47H79O14P (898.5207) Adducts: [M+H-H2O]+ (Ppm: 2) |
Homo sapiens (esophagus) |
LNTO30_7_2Resolution: 75μm, 82x68
|
|
PGP(18:0/20:3(5Z,8Z,11Z)) Formula: C44H82O13P2 (880.523) Adducts: [M+H]+ (Ppm: 13.2) |
Homo sapiens (colorectal adenocarcinoma) |
240TopL, 210TopR, 230BottomL, 220BottomR-centroidResolution: 50μm, 142x141
|
|
PI(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C47H79O14P (898.5207) Adducts: [M+H-H2O]+ (Ppm: 2.1) |
Homo sapiens (colorectal adenocarcinoma) |
200TopL, 170TopR, 190BottomL, 180BottomR-centroidResolution: 50μm, 132x126
|
|
PI(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) Formula: C47H79O14P (898.5207) Adducts: [M+H-H2O]+ (Ppm: 1) |
Homo sapiens (colorectal adenocarcinoma) |
160TopL,130TopR,150BottomL,140BottomR-centroidResolution: 50μm, 142x136
|
|
PGP(18:0/20:3(5Z,8Z,11Z)) Formula: C44H82O13P2 (880.523) Adducts: [M+H]+ (Ppm: 12.9) |
Homo sapiens (colorectal adenocarcinoma) |
120TopL, 90TopR, 110BottomL, 100BottomR-centroidResolution: 50μm, 132x136
|
|