M/Z: 744.5598
Hit 3 annotations: PE(P-18:0/22:4(7Z,10Z,13Z,16Z))_[M+H-2H2O]+
; 1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol_[M+NH4]+
; PE(18:0/18:2(9Z,12Z))_[M+H]+
- 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 744.5598
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000043333 Reliable | 744.5566 | 744.5564 ~ 744.557 MzDiff: 2.7 ppm |
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257) Formula: C41H78NO8P (743.5465) |
15.61 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000057878 Reliable | 744.5555 | 744.5552 ~ 744.556 MzDiff: 3.1 ppm |
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257) Formula: C41H78NO8P (743.5465) |
17.13 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000056886 Unreliable | 744.5554 | 744.5553 ~ 744.5557 MzDiff: 1.9 ppm |
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257) Formula: C41H78NO8P (743.5465) |
1.82 (100%) | Homo sapiens [UBERON:0007779] transudate |
MSI_000007121 Unreliable | 744.555 | 744.5549 ~ 744.555 MzDiff: 0.2 ppm |
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257) Formula: C41H78NO8P (743.5465) |
3.83 (100%) | Rattus norvegicus [UBERON:0004359] corpus epididymis |
MSI_000008245 Unreliable | 744.555 | 744.5549 ~ 744.555 MzDiff: 0.2 ppm |
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257) Formula: C41H78NO8P (743.5465) |
4.76 (100%) | Rattus norvegicus [UBERON:0004360] cauda epididymis |
MSI_000043442 Unreliable | 744.5574 | 744.5573 ~ 744.5574 MzDiff: 0.4 ppm |
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257) Formula: C41H78NO8P (743.5465) |
2.79 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000043500 Unreliable | 744.5574 | 744.5573 ~ 744.5574 MzDiff: 0.4 ppm |
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257) Formula: C41H78NO8P (743.5465) |
2.79 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000046994 Unreliable | 744.5666 | 744.5666 ~ 744.5666 MzDiff: none |
SM(d18:0/18:1(12Z)-O(9S,10R)) (BioDeep_00000215475) Formula: C41H81N2O7P (744.5781) |
3.04 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000047034 Unreliable | 744.553 | 744.553 ~ 744.553 MzDiff: none |
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257) Formula: C41H78NO8P (743.5465) |
2.95 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000047054 Unreliable | 744.5598 | 744.5598 ~ 744.5598 MzDiff: none |
PE(P-18:0/22:4(7Z,10Z,13Z,16Z)) (BioDeep_00000031982) Formula: C45H82NO7P (779.5829) |
2.91 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000051672 Unreliable | 744.5561 | 744.5561 ~ 744.5561 MzDiff: none |
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257) Formula: C41H78NO8P (743.5465) |
2.68 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000051690 Unreliable | 744.5629 | 744.5629 ~ 744.5629 MzDiff: none |
SM(d18:0/18:1(12Z)-O(9S,10R)) (BioDeep_00000215475) Formula: C41H81N2O7P (744.5781) |
2.61 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000052254 Unreliable | 744.5697 | 744.5697 ~ 744.5697 MzDiff: none |
3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate (BioDeep_00000228844) Formula: C53H79O4 (779.5978) |
2.24 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000065392 Unreliable | 744.5548 | 744.5548 ~ 744.555 MzDiff: 0.7 ppm |
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257) Formula: C41H78NO8P (743.5465) |
2.75 (100%) | Homo sapiens [UBERON:0001155] colon |
MSI_000056761 Unreliable | 744.5534 | 744.5532 ~ 744.5535 MzDiff: 1.1 ppm |
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257) Formula: C41H78NO8P (743.5465) |
2.64 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000001203 Unavailable | 744.55 | 744.55 ~ 744.55 MzDiff: none |
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257) Formula: C41H78NO8P (743.5465) |
-0.48 (100%) | Mus musculus [UBERON:0001224] renal pelvis |
MSI_000001656 Unavailable | 744.55 | 744.55 ~ 744.55 MzDiff: none |
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257) Formula: C41H78NO8P (743.5465) |
-0.48 (100%) | Mus musculus [UBERON:0001225] cortex of kidney |
MSI_000002118 Unavailable | 744.55 | 744.55 ~ 744.55 MzDiff: none |
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257) Formula: C41H78NO8P (743.5465) |
-0.48 (100%) | Mus musculus [UBERON:0001293] outer medulla of kidney |
MSI_000055915 Unavailable | 744.5574 | 744.5574 ~ 744.5574 MzDiff: none |
PE(18:0/18:2(9Z,12Z)) (BioDeep_00000019257) Formula: C41H78NO8P (743.5465) |
-0.34 (100%) | Homo sapiens [UBERON:0007779] transudate |
Found 26 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
PE(P-18:0/22:4(7Z,10Z,13Z,16Z)) Formula: C45H82NO7P (779.5829) Adducts: [M+H-2H2O]+ (Ppm: 19.3) |
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 |
|
1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol Formula: C41H74O10 (726.5282) Adducts: [M+NH4]+ (Ppm: 11.4) |
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. |
|
PE(18:0/18:2(9Z,12Z)) Formula: C41H78NO8P (743.5465) Adducts: [M+H]+ (Ppm: 3.8) |
Homo sapiens (esophagus) |
LNTO22_1_3Resolution: 75μm, 121x68
|
|
PE(18:0/18:2(9Z,12Z)) Formula: C41H78NO8P (743.5465) Adducts: [M+H]+ (Ppm: 2.6) |
Homo sapiens (esophagus) |
LNTO29_16_2Resolution: 17μm, 95x101
|
|
PE(18:0/18:2(9Z,12Z)) Formula: C41H78NO8P (743.5465) Adducts: [M+H]+ (Ppm: 4.8) |
Homo sapiens (esophagus) |
LNTO22_1_9Resolution: 75μm, 89x74
|
|
PE(18:0/18:2(9Z,12Z)) Formula: C41H78NO8P (743.5465) Adducts: [M+H]+ (Ppm: 2.2) |
Homo sapiens (esophagus) |
LNTO30_8M_1Resolution: 17μm, 69x54
|
|
PE(P-18:0/22:4(7Z,10Z,13Z,16Z)) Formula: C45H82NO7P (779.5829) Adducts: [M+H-2H2O]+ (Ppm: 12.4) |
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). |
|
PE(P-18:0/22:4(7Z,10Z,13Z,16Z)) Formula: C45H82NO7P (779.5829) Adducts: [M+H-2H2O]+ (Ppm: 12.1) |
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). |
|
PE(18:0/18:2(9Z,12Z)) Formula: C41H78NO8P (743.5465) Adducts: [M+H]+ (Ppm: 3.2) |
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(P-18:0/22:4(7Z,10Z,13Z,16Z)) Formula: C45H82NO7P (779.5829) Adducts: [M+H-2H2O]+ (Ppm: 14.4) |
Homo sapiens (NA) |
160TopL,130TopR,150BottomL,140BottomR-profileResolution: 17μm, 142x136
|
|
PE(18:0/18:2(9Z,12Z)) Formula: C41H78NO8P (743.5465) Adducts: [M+H]+ (Ppm: 4) |
Homo sapiens (esophagus) |
LNTO26_7_1Resolution: 17μm, 75x74
|
|
PE(18:0/18:2(9Z,12Z)) Formula: C41H78NO8P (743.5465) Adducts: [M+H]+ (Ppm: 4.9) |
Homo sapiens (esophagus) |
LNTO26_7_2Resolution: 17μm, 135x101
|
|
PE(18:0/18:2(9Z,12Z)) Formula: C41H78NO8P (743.5465) Adducts: [M+H]+ (Ppm: 3.6) |
Homo sapiens (esophagus) |
LNTO26_7_3Resolution: 75μm, 82x88
|
|
PE(18:0/18:2(9Z,12Z)) Formula: C41H78NO8P (743.5465) Adducts: [M+H]+ (Ppm: 1.9) |
Homo sapiens (esophagus) |
TO31TResolution: 75μm, 56x54
|
|
PE(18:0/18:2(9Z,12Z)) Formula: C41H78NO8P (743.5465) Adducts: [M+H]+ (Ppm: 3) |
Homo sapiens (esophagus) |
LNTO30_8M_4Resolution: 75μm, 62x48
|
|
PE(18:0/18:2(9Z,12Z)) Formula: C41H78NO8P (743.5465) Adducts: [M+H]+ (Ppm: 2.8) |
Homo sapiens (esophagus) |
LNTO30_8M_5Resolution: 75μm, 56x54
|
|
PE(18:0/18:2(9Z,12Z)) Formula: C41H78NO8P (743.5465) Adducts: [M+H]+ (Ppm: 2.6) |
Homo sapiens (esophagus) |
LNTO30_17_2Resolution: 75μm, 82x54
|
|
PE(18:0/18:2(9Z,12Z)) Formula: C41H78NO8P (743.5465) Adducts: [M+H]+ (Ppm: 4.4) |
Homo sapiens (esophagus) |
LNTO22_1_5Resolution: 75μm, 135x94
|
|
PE(18:0/18:2(9Z,12Z)) Formula: C41H78NO8P (743.5465) Adducts: [M+H]+ (Ppm: 4) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
|
|
PE(18:0/18:2(9Z,12Z)) Formula: C41H78NO8P (743.5465) Adducts: [M+H]+ (Ppm: 3.6) |
Homo sapiens (esophagus) |
LNTO22_1_8Resolution: 75μm, 69x61
|
|
PE(18:0/18:2(9Z,12Z)) Formula: C41H78NO8P (743.5465) Adducts: [M+H]+ (Ppm: 3.6) |
Homo sapiens (esophagus) |
LNTO22_2_1Resolution: 75μm, 89x88
|
|
PE(18:0/18:2(9Z,12Z)) Formula: C41H78NO8P (743.5465) Adducts: [M+H]+ (Ppm: 4.4) |
Homo sapiens (esophagus) |
LNTO22_2_2Resolution: 75μm, 135x94
|
|
PE(18:0/18:2(9Z,12Z)) Formula: C41H78NO8P (743.5465) Adducts: [M+H]+ (Ppm: 3.8) |
Homo sapiens (esophagus) |
LNTO26_16_1Resolution: 75μm, 95x88
|
|
PE(18:0/18:2(9Z,12Z)) Formula: C41H78NO8P (743.5465) Adducts: [M+H]+ (Ppm: 2.6) |
Homo sapiens (esophagus) |
LNTO30_7_1Resolution: 75μm, 69x68
|
|
PE(18:0/18:2(9Z,12Z)) Formula: C41H78NO8P (743.5465) Adducts: [M+H]+ (Ppm: 2.3) |
Homo sapiens (esophagus) |
LNTO30_7_2Resolution: 75μm, 82x68
|
|
PE(18:0/18:2(9Z,12Z)) Formula: C41H78NO8P (743.5465) Adducts: [M+H]+ (Ppm: 2.5) |
Homo sapiens (colorectal adenocarcinoma) |
200TopL, 170TopR, 190BottomL, 180BottomR-centroidResolution: 50μm, 132x126
|
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