M/Z: 796.5918
Hit 3 annotations: SM(d19:0/PGJ2)_[M-H2O+NH4]+
; PE(20:0/20:4(8Z,11Z,14Z,17Z))_[M+H]+
; Distearoyl phosphatidylglycerol_[M+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 25 Reference Ions Near m/z 796.5918
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000020319 Reliable | 796.5829 | 796.5828 ~ 796.583 MzDiff: 0.6 ppm |
PE(20:0/20:4(8Z,11Z,14Z,17Z)) (BioDeep_00000019275) Formula: C45H82NO8P (795.5778) |
5.74 (100%) | Rattus norvegicus [UBERON:0004358] caput epididymis |
MSI_000043307 Reliable | 796.5895 | 796.5892 ~ 796.5899 MzDiff: 2.8 ppm |
PE(20:0/20:4(8Z,11Z,14Z,17Z)) (BioDeep_00000019275) Formula: C45H82NO8P (795.5778) |
8.68 (87%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000043184 Unreliable | 796.5875 | 796.587 ~ 796.5879 MzDiff: 3.4 ppm |
PE(20:0/20:4(8Z,11Z,14Z,17Z)) (BioDeep_00000019275) Formula: C45H82NO8P (795.5778) |
7.95 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000062001 Unreliable | 796.584 | 796.584 ~ 796.584 MzDiff: none |
PE(20:0/20:4(8Z,11Z,14Z,17Z)) (BioDeep_00000019275) Formula: C45H82NO8P (795.5778) |
1.31 (100%) | Mus musculus [UBERON:0000956] cerebral cortex |
MSI_000047097 Unreliable | 796.5841 | 796.5841 ~ 796.5841 MzDiff: none |
PE(20:0/20:4(8Z,11Z,14Z,17Z)) (BioDeep_00000019275) Formula: C45H82NO8P (795.5778) |
2.81 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000051923 Unreliable | 796.5871 | 796.5871 ~ 796.5871 MzDiff: none |
PE(20:0/20:4(8Z,11Z,14Z,17Z)) (BioDeep_00000019275) Formula: C45H82NO8P (795.5778) |
2.38 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000047148 Unreliable | 796.5917 | 796.5917 ~ 796.5917 MzDiff: none |
Distearoyl phosphatidylglycerol (BioDeep_00000178440) Formula: C42H83O10P (778.5724) |
2.7 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000052088 Unreliable | 796.5946 | 796.5946 ~ 796.5946 MzDiff: none |
Not Annotated | 2.33 (0%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000047256 Unreliable | 796.5991 | 796.5991 ~ 796.5991 MzDiff: none |
SM(d20:1/20:3(6,8,11)-OH(5)) (BioDeep_00000215756) Formula: C45H85N2O7P (796.6094) |
2.47 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000065296 Unreliable | 796.5881 | 796.5881 ~ 796.5881 MzDiff: none |
PE(20:0/20:4(8Z,11Z,14Z,17Z)) (BioDeep_00000019275) Formula: C45H82NO8P (795.5778) |
2.55 (100%) | Homo sapiens [UBERON:0001155] colon |
MSI_000002626 Unreliable | 796.5837 | 796.5837 ~ 796.5837 MzDiff: none |
PE 40:4 (BioDeep_00000279007) Formula: C45H82NO8P (795.5778) |
0.03 (100%) | Rattus norvegicus [UBERON:0001950] neocortex |
MSI_000003267 Unreliable | 796.5837 | 796.5837 ~ 796.5837 MzDiff: none |
PE 40:4 (BioDeep_00000279007) Formula: C45H82NO8P (795.5778) |
0.14 (100%) | Rattus norvegicus [UBERON:0002037] cerebellum |
MSI_000005303 Unavailable | 796.5837 | 796.5837 ~ 796.5837 MzDiff: none |
PE 40:4 (BioDeep_00000279007) Formula: C45H82NO8P (795.5778) |
-0.88 (100%) | Rattus norvegicus [UBERON:0002298] brainstem |
MSI_000005828 Unavailable | 796.5837 | 796.5837 ~ 796.5837 MzDiff: none |
PE 40:4 (BioDeep_00000279007) Formula: C45H82NO8P (795.5778) |
-0.71 (100%) | Rattus norvegicus [UBERON:0002435] striatum |
MSI_000029341 Unreliable | 796.5838 | 796.5838 ~ 796.5838 MzDiff: none |
PE(20:0/20:4(8Z,11Z,14Z,17Z)) (BioDeep_00000019275) Formula: C45H82NO8P (795.5778) |
1.24 (100%) | Macropus giganteus [UBERON:0002336] corpus callosum |
MSI_000030906 Unreliable | 796.5838 | 796.5838 ~ 796.5838 MzDiff: none |
PE(20:0/20:4(8Z,11Z,14Z,17Z)) (BioDeep_00000019275) Formula: C45H82NO8P (795.5778) |
0.61 (100%) | Macropus giganteus [UBERON:0003027] cingulate cortex |
MSI_000031560 Unreliable | 796.5838 | 796.5838 ~ 796.5838 MzDiff: none |
PE(20:0/20:4(8Z,11Z,14Z,17Z)) (BioDeep_00000019275) Formula: C45H82NO8P (795.5778) |
0.34 (100%) | Macropus giganteus [UBERON:0006093] precuneus cortex |
MSI_000026671 Unreliable | 796.5838 | 796.5838 ~ 796.5838 MzDiff: none |
PE(20:0/20:4(8Z,11Z,14Z,17Z)) (BioDeep_00000019275) Formula: C45H82NO8P (795.5778) |
1.79 (100%) | Mus musculus [UBERON:0002048] lung |
MSI_000044241 Unreliable | 796.5843 | 796.5843 ~ 796.5843 MzDiff: none |
PE(20:0/20:4(8Z,11Z,14Z,17Z)) (BioDeep_00000019275) Formula: C45H82NO8P (795.5778) |
0.53 (100%) | Rattus norvegicus [UBERON:0002264] olfactory bulb |
MSI_000059858 Unavailable | 796.5847 | 796.5847 ~ 796.5847 MzDiff: none |
PE(20:0/20:4(8Z,11Z,14Z,17Z)) (BioDeep_00000019275) Formula: C45H82NO8P (795.5778) |
-0.65 (100%) | Mus musculus [UBERON:0002298] brainstem |
MSI_000060809 Unavailable | 796.5847 | 796.5847 ~ 796.5847 MzDiff: none |
PE(20:0/20:4(8Z,11Z,14Z,17Z)) (BioDeep_00000019275) Formula: C45H82NO8P (795.5778) |
-0.5 (100%) | Mus musculus [UBERON:0002421] hippocampal formation |
MSI_000058502 Unreliable | 796.5853 | 796.5853 ~ 796.5853 MzDiff: none |
PE(20:0/20:4(8Z,11Z,14Z,17Z)) (BioDeep_00000019275) Formula: C45H82NO8P (795.5778) |
1.1 (100%) | Mus musculus [UBERON:0001950] neocortex |
MSI_000024800 Unreliable | 796.586 | 796.586 ~ 796.586 MzDiff: none |
PE(20:0/20:4(8Z,11Z,14Z,17Z)) (BioDeep_00000019275) Formula: C45H82NO8P (795.5778) |
1.76 (100%) | Mus musculus [UBERON:0004269] upper arm connective tissue |
MSI_000028500 Unreliable | 796.5918 | 796.5918 ~ 796.5918 MzDiff: none |
Distearoyl phosphatidylglycerol (BioDeep_00000178440) Formula: C42H83O10P (778.5724) |
0.99 (100%) | Macropus giganteus [UBERON:0001891] midbrain |
MSI_000029335 Unreliable | 796.5918 | 796.5918 ~ 796.5918 MzDiff: none |
Distearoyl phosphatidylglycerol (BioDeep_00000178440) Formula: C42H83O10P (778.5724) |
1.25 (100%) | Macropus giganteus [UBERON:0002336] corpus callosum |
Found 26 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
SM(d19:0/PGJ2) Formula: C44H81N2O8P (796.573) Adducts: [M-H2O+NH4]+ (Ppm: 10.4) |
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 |
|
PE(20:0/20:4(8Z,11Z,14Z,17Z)) Formula: C45H82NO8P (795.5778) Adducts: [M+H]+ (Ppm: 1.2) |
Mus musculus (Left upper arm) |
357_l_total ion countResolution: 50μm, 97x131
Diseased |
|
SM(d19:0/PGJ2) Formula: C44H81N2O8P (796.573) Adducts: [M-H2O+NH4]+ (Ppm: 11.2) |
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. |
|
SM(d19:0/PGJ2) Formula: C44H81N2O8P (796.573) Adducts: [M-H2O+NH4]+ (Ppm: 10.7) |
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. |
|
Distearoyl phosphatidylglycerol Formula: C42H83O10P (778.5724) Adducts: [M+NH4]+ (Ppm: 18.1) |
Macropus giganteus (Brain) |
170321_kangaroobrain-dan3-pos_maxof50.0_med1Resolution: 50μm, 81x50
Sample information
Organism: Macropus giganteus (kangaroo)
Organism part: Brain
Condition: Wildtype
Sample growth conditions: Wild |
|
PE(20:0/20:4(8Z,11Z,14Z,17Z)) Formula: C45H82NO8P (795.5778) Adducts: [M+H]+ (Ppm: 5.8) |
Homo sapiens (esophagus) |
LNTO22_1_3Resolution: 75μm, 121x68
|
|
PE(20:0/20:4(8Z,11Z,14Z,17Z)) Formula: C45H82NO8P (795.5778) Adducts: [M+H]+ (Ppm: 0.4) |
Homo sapiens (esophagus) |
LNTO22_1_4Resolution: 17μm, 82x80
|
|
PE(20:0/20:4(8Z,11Z,14Z,17Z)) Formula: C45H82NO8P (795.5778) Adducts: [M+H]+ (Ppm: 6.1) |
Homo sapiens (esophagus) |
LNTO22_1_9Resolution: 75μm, 89x74
|
|
Distearoyl phosphatidylglycerol Formula: C42H83O10P (778.5724) Adducts: [M+NH4]+ (Ppm: 18.2) |
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_796.5946 Formula: - (n/a) Adducts: (Ppm: 0) |
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(20:0/20:4(8Z,11Z,14Z,17Z)) Formula: C45H82NO8P (795.5778) Adducts: [M+H]+ (Ppm: 6) |
Homo sapiens (NA) |
160TopL,130TopR,150BottomL,140BottomR-profileResolution: 17μm, 142x136
|
|
PE(20:0/20:4(8Z,11Z,14Z,17Z)) Formula: C45H82NO8P (795.5778) Adducts: [M+H]+ (Ppm: 3.3) |
Homo sapiens (esophagus) |
LNTO29_16_3Resolution: 17μm, 108x107
|
|
SM(d19:0/PGJ2) Formula: C44H81N2O8P (796.573) Adducts: [M-H2O+NH4]+ (Ppm: 8.8) |
Homo sapiens (esophagus) |
LNTO26_7_3Resolution: 75μm, 82x88
|
|
PE(20:0/20:4(8Z,11Z,14Z,17Z)) Formula: C45H82NO8P (795.5778) Adducts: [M+H]+ (Ppm: 4.7) |
Homo sapiens (esophagus) |
TO29TResolution: 75μm, 56x48
|
|
PE(20:0/20:4(8Z,11Z,14Z,17Z)) Formula: C45H82NO8P (795.5778) Adducts: [M+H]+ (Ppm: 2.4) |
Homo sapiens (esophagus) |
TO41TResolution: 75μm, 69x43
|
|
PE(20:0/20:4(8Z,11Z,14Z,17Z)) Formula: C45H82NO8P (795.5778) Adducts: [M+H]+ (Ppm: 6.3) |
Homo sapiens (esophagus) |
LNTO22_1_5Resolution: 75μm, 135x94
|
|
PE(20:0/20:4(8Z,11Z,14Z,17Z)) Formula: C45H82NO8P (795.5778) Adducts: [M+H]+ (Ppm: 5.7) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
|
|
PE(20:0/20:4(8Z,11Z,14Z,17Z)) Formula: C45H82NO8P (795.5778) Adducts: [M+H]+ (Ppm: 5.3) |
Homo sapiens (esophagus) |
LNTO22_1_8Resolution: 75μm, 69x61
|
|
PE(20:0/20:4(8Z,11Z,14Z,17Z)) Formula: C45H82NO8P (795.5778) Adducts: [M+H]+ (Ppm: 4.6) |
Homo sapiens (esophagus) |
LNTO22_2_1Resolution: 75μm, 89x88
|
|
PE(20:0/20:4(8Z,11Z,14Z,17Z)) Formula: C45H82NO8P (795.5778) Adducts: [M+H]+ (Ppm: 5.5) |
Homo sapiens (esophagus) |
LNTO22_2_2Resolution: 75μm, 135x94
|
|
PE(20:0/20:4(8Z,11Z,14Z,17Z)) Formula: C45H82NO8P (795.5778) Adducts: [M+H]+ (Ppm: 5.2) |
Homo sapiens (esophagus) |
LNTO26_16_1Resolution: 75μm, 95x88
|
|
PE(20:0/20:4(8Z,11Z,14Z,17Z)) Formula: C45H82NO8P (795.5778) Adducts: [M+H]+ (Ppm: 3.6) |
Homo sapiens (esophagus) |
LNTO29_18_2Resolution: 75μm, 62x68
|
|
PE(20:0/20:4(8Z,11Z,14Z,17Z)) Formula: C45H82NO8P (795.5778) Adducts: [M+H]+ (Ppm: 3.2) |
Homo sapiens (colorectal adenocarcinoma) |
240TopL, 210TopR, 230BottomL, 220BottomR-centroidResolution: 50μm, 142x141
|
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PE(20:0/20:4(8Z,11Z,14Z,17Z)) Formula: C45H82NO8P (795.5778) Adducts: [M+H]+ (Ppm: 3.8) |
Homo sapiens (colorectal adenocarcinoma) |
200TopL, 170TopR, 190BottomL, 180BottomR-centroidResolution: 50μm, 132x126
|
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PE(20:0/20:4(8Z,11Z,14Z,17Z)) Formula: C45H82NO8P (795.5778) Adducts: [M+H]+ (Ppm: 2.8) |
Homo sapiens (colorectal adenocarcinoma) |
160TopL,130TopR,150BottomL,140BottomR-centroidResolution: 50μm, 142x136
|
|
PE(20:0/20:4(8Z,11Z,14Z,17Z)) Formula: C45H82NO8P (795.5778) Adducts: [M+H]+ (Ppm: 3.7) |
Homo sapiens (colorectal adenocarcinoma) |
120TopL, 90TopR, 110BottomL, 100BottomR-centroidResolution: 50μm, 132x136
|
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