M/Z: 697.4877
Hit 4 annotations: PS(14:0/14:0)_[M+NH4]+
; PE(15:0/18:4(6Z,9Z,12Z,15Z))_[M-H2O+NH4]+
; PE(18:3(6Z,9Z,12Z)/P-16:0)_[M]+
; PA(14:0/22:4(7Z,10Z,13Z,16Z))_[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 22 Reference Ions Near m/z 697.4877
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000020850 Reliable | 697.4783 | 697.4782 ~ 697.4785 MzDiff: 1.4 ppm |
PS(14:0/14:0) (BioDeep_00000032557) Formula: C34H66NO10P (679.4424) |
5.47 (100%) | Rattus norvegicus [UBERON:0004358] caput epididymis |
MSI_000052775 Reliable | 697.4905 | 697.4901 ~ 697.4909 MzDiff: 3.6 ppm |
PE(18:3(6Z,9Z,12Z)/P-16:0) (BioDeep_00000030359) Formula: C39H72NO7P (697.5046) |
9.17 (43%) | DESI [NOVOCELL:BACKGROUND] blank |
MSI_000043295 Reliable | 697.4816 | 697.4812 ~ 697.4818 MzDiff: 2.4 ppm |
PS(14:0/14:0) (BioDeep_00000032557) Formula: C34H66NO10P (679.4424) |
6.14 (69%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000056863 Unreliable | 697.4815 | 697.4812 ~ 697.4818 MzDiff: 2.3 ppm |
PS(14:0/14:0) (BioDeep_00000032557) Formula: C34H66NO10P (679.4424) |
1.47 (50%) | Homo sapiens [UBERON:0007779] transudate |
MSI_000061353 Unreliable | 697.479 | 697.479 ~ 697.479 MzDiff: 0.1 ppm |
PS(14:0/14:0) (BioDeep_00000032557) Formula: C34H66NO10P (679.4424) |
1.15 (100%) | Mus musculus [UBERON:0000956] cerebral cortex |
MSI_000043431 Unreliable | 697.4833 | 697.4833 ~ 697.4833 MzDiff: none |
PS(14:0/14:0) (BioDeep_00000032557) Formula: C34H66NO10P (679.4424) |
1.69 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000002458 Unreliable | 697.478 | 697.478 ~ 697.478 MzDiff: none |
PS(14:0/14:0) (BioDeep_00000032557) Formula: C34H66NO10P (679.4424) |
1.14 (100%) | Rattus norvegicus [UBERON:0001950] neocortex |
MSI_000003130 Unreliable | 697.478 | 697.478 ~ 697.478 MzDiff: none |
PS(14:0/14:0) (BioDeep_00000032557) Formula: C34H66NO10P (679.4424) |
1.89 (100%) | Rattus norvegicus [UBERON:0002037] cerebellum |
MSI_000005272 Unavailable | 697.478 | 697.478 ~ 697.478 MzDiff: none |
PS(14:0/14:0) (BioDeep_00000032557) Formula: C34H66NO10P (679.4424) |
-0.83 (100%) | Rattus norvegicus [UBERON:0002298] brainstem |
MSI_000005924 Unavailable | 697.478 | 697.478 ~ 697.478 MzDiff: none |
PS(14:0/14:0) (BioDeep_00000032557) Formula: C34H66NO10P (679.4424) |
-0.96 (100%) | Rattus norvegicus [UBERON:0002435] striatum |
MSI_000028003 Unreliable | 697.4796 | 697.4796 ~ 697.4796 MzDiff: none |
PS(14:0/14:0) (BioDeep_00000032557) Formula: C34H66NO10P (679.4424) |
1.89 (100%) | Mus musculus [UBERON:0002048] lung |
MSI_000028307 Unreliable | 697.4831 | 697.4831 ~ 697.4831 MzDiff: none |
PE(15:0/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000030152) Formula: C38H68NO8P (697.4682) |
1.44 (100%) | Macropus giganteus [UBERON:0001891] midbrain |
MSI_000031496 Unreliable | 697.4831 | 697.4831 ~ 697.4831 MzDiff: none |
PE(15:0/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000030152) Formula: C38H68NO8P (697.4682) |
0.57 (100%) | Macropus giganteus [UBERON:0006093] precuneus cortex |
MSI_000043923 Unreliable | 697.4779 | 697.4779 ~ 697.4779 MzDiff: none |
PS(14:0/14:0) (BioDeep_00000032557) Formula: C34H66NO10P (679.4424) |
2.7 (100%) | Rattus norvegicus [UBERON:0002264] olfactory bulb |
MSI_000056025 Unavailable | 697.4909 | 697.4909 ~ 697.4909 MzDiff: none |
PA(14:0/22:4(7Z,10Z,13Z,16Z)) (BioDeep_00000107146) Formula: C39H69O8P (696.473) |
-0.5 (100%) | Homo sapiens [UBERON:0007779] transudate |
MSI_000056098 Unavailable | 697.4826 | 697.4826 ~ 697.4826 MzDiff: none |
PS(14:0/14:0) (BioDeep_00000032557) Formula: C34H66NO10P (679.4424) |
-0.55 (100%) | Homo sapiens [UBERON:0007779] transudate |
MSI_000060045 Unavailable | 697.4783 | 697.4783 ~ 697.4783 MzDiff: none |
PS(14:0/14:0) (BioDeep_00000032557) Formula: C34H66NO10P (679.4424) |
-0.85 (100%) | Mus musculus [UBERON:0002298] brainstem |
MSI_000060520 Unavailable | 697.4783 | 697.4783 ~ 697.4783 MzDiff: none |
PS(14:0/14:0) (BioDeep_00000032557) Formula: C34H66NO10P (679.4424) |
-0.25 (100%) | Mus musculus [UBERON:0002421] hippocampal formation |
MSI_000061635 Unavailable | 697.4877 | 697.4877 ~ 697.4877 MzDiff: none |
PE(15:0/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000030152) Formula: C38H68NO8P (697.4682) |
-0.35 (100%) | Mus musculus [UBERON:0000956] cerebral cortex |
MSI_000062324 Unavailable | 697.4877 | 697.4877 ~ 697.4877 MzDiff: none |
PE(15:0/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000030152) Formula: C38H68NO8P (697.4682) |
-0.35 (100%) | Mus musculus [UBERON:0001950] neocortex |
MSI_000062756 Unavailable | 697.4877 | 697.4877 ~ 697.4877 MzDiff: none |
PE(15:0/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000030152) Formula: C38H68NO8P (697.4682) |
-0.35 (100%) | Mus musculus [UBERON:0002421] hippocampal formation |
MSI_000065817 Unreliable | 697.479 | 697.479 ~ 697.479 MzDiff: none |
PS(14:0/14:0) (BioDeep_00000032557) Formula: C34H66NO10P (679.4424) |
1.27 (100%) | Mus musculus [UBERON:0001950] neocortex |
Found 23 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
PS(14:0/14:0) Formula: C34H66NO10P (679.4424) Adducts: [M+NH4]+ (Ppm: 2.5) |
Rattus norvegicus (Brain) |
Spectroswiss - sol_2x_br_2Resolution: 17μm, 488x193
|
|
PE(15:0/18:4(6Z,9Z,12Z,15Z)) Formula: C38H68NO8P (697.4682) Adducts: [M-H2O+NH4]+ (Ppm: 11) |
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(15:0/18:4(6Z,9Z,12Z,15Z)) Formula: C38H68NO8P (697.4682) Adducts: [M-H2O+NH4]+ (Ppm: 13.5) |
Mus musculus (Left upper arm) |
357_l_total ion countResolution: 50μm, 97x131
Diseased |
|
PE(15:0/18:4(6Z,9Z,12Z,15Z)) Formula: C38H68NO8P (697.4682) Adducts: [M-H2O+NH4]+ (Ppm: 14) |
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. |
|
PE(15:0/18:4(6Z,9Z,12Z,15Z)) Formula: C38H68NO8P (697.4682) Adducts: [M-H2O+NH4]+ (Ppm: 12) |
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(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M]+ (Ppm: 19) |
Homo sapiens (esophagus) |
LNTO22_1_3Resolution: 75μm, 121x68
|
|
PS(14:0/14:0) Formula: C34H66NO10P (679.4424) Adducts: [M+NH4]+ (Ppm: 19.9) |
Homo sapiens (esophagus) |
LNTO29_16_2Resolution: 17μm, 95x101
|
|
PS(14:0/14:0) Formula: C34H66NO10P (679.4424) Adducts: [M+NH4]+ (Ppm: 18.9) |
Homo sapiens (esophagus) |
TO42TResolution: 17μm, 69x81
|
|
PS(14:0/14:0) Formula: C34H66NO10P (679.4424) Adducts: [M+NH4]+ (Ppm: 10.1) |
Homo sapiens (esophagus) |
LNTO22_1_9Resolution: 75μm, 89x74
|
|
PS(14:0/14:0) Formula: C34H66NO10P (679.4424) Adducts: [M+NH4]+ (Ppm: 3.7) |
Mus musculus (Liver) |
Salmonella_final_pos_recalResolution: 17μm, 691x430
A more complete and holistic view on host–microbe interactions is needed to understand the physiological and cellular barriers that affect the efficacy of drug treatments and allow the discovery and development of new therapeutics. Here, we developed a multimodal imaging approach combining histopathology with mass spectrometry imaging (MSI) and same section imaging mass cytometry (IMC) to study the effects of Salmonella Typhimurium infection in the liver of a mouse model using the S. Typhimurium strains SL3261 and SL1344. This approach enables correlation of tissue morphology and specific cell phenotypes with molecular images of tissue metabolism. IMC revealed a marked increase in immune cell markers and localization in immune aggregates in infected tissues. A correlative computational method (network analysis) was deployed to find metabolic features associated with infection and revealed metabolic clusters of acetyl carnitines, as well as phosphatidylcholine and phosphatidylethanolamine plasmalogen species, which could be associated with pro-inflammatory immune cell types. By developing an IMC marker for the detection of Salmonella LPS, we were further able to identify and characterize those cell types which contained S. Typhimurium.
[dataset] Nicole Strittmatter. Holistic Characterization of a Salmonella Typhimurium Infection Model Using Integrated Molecular Imaging, metabolights_dataset, V1; 2022. https://www.ebi.ac.uk/metabolights/MTBLS2671. |
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PA(14:0/22:4(7Z,10Z,13Z,16Z)) Formula: C39H69O8P (696.473) Adducts: [M+H]+ (Ppm: 17.1) |
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). |
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PS(14:0/14:0) Formula: C34H66NO10P (679.4424) Adducts: [M+NH4]+ (Ppm: 19.4) |
Homo sapiens (esophagus) |
LNTO29_16_3Resolution: 17μm, 108x107
|
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PE(15:0/18:4(6Z,9Z,12Z,15Z)) Formula: C38H68NO8P (697.4682) Adducts: [M-H2O+NH4]+ (Ppm: 0.6) |
Homo sapiens (esophagus) |
LNTO26_7_1Resolution: 17μm, 75x74
|
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PA(14:0/22:4(7Z,10Z,13Z,16Z)) Formula: C39H69O8P (696.473) Adducts: [M+H]+ (Ppm: 15.3) |
Homo sapiens (esophagus) |
LNTO26_7_2Resolution: 17μm, 135x101
|
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PE(15:0/18:4(6Z,9Z,12Z,15Z)) Formula: C38H68NO8P (697.4682) Adducts: [M-H2O+NH4]+ (Ppm: 2) |
Homo sapiens (esophagus) |
LNTO26_7_3Resolution: 75μm, 82x88
|
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PS(14:0/14:0) Formula: C34H66NO10P (679.4424) Adducts: [M+NH4]+ (Ppm: 9.1) |
Homo sapiens (esophagus) |
TO29TResolution: 75μm, 56x48
|
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PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M]+ (Ppm: 18.6) |
Homo sapiens (esophagus) |
LNTO22_1_5Resolution: 75μm, 135x94
|
|
PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M]+ (Ppm: 19.4) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
|
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PE(18:3(6Z,9Z,12Z)/P-16:0) Formula: C39H72NO7P (697.5046) Adducts: [M]+ (Ppm: 19.2) |
Homo sapiens (esophagus) |
LNTO22_1_8Resolution: 75μm, 69x61
|
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PA(14:0/22:4(7Z,10Z,13Z,16Z)) Formula: C39H69O8P (696.473) Adducts: [M+H]+ (Ppm: 15.3) |
Homo sapiens (esophagus) |
LNTO26_16_1Resolution: 75μm, 95x88
|
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PS(14:0/14:0) Formula: C34H66NO10P (679.4424) Adducts: [M+NH4]+ (Ppm: 19.9) |
Homo sapiens (esophagus) |
LNTO30_7_2Resolution: 75μm, 82x68
|
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PE(15:0/18:4(6Z,9Z,12Z,15Z)) Formula: C38H68NO8P (697.4682) Adducts: [M-H2O+NH4]+ (Ppm: 5.4) |
Mus musculus (brain) |
Brain01_Bregma1-42_02_centroidResolution: 17μm, 434x258
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PS(14:0/14:0) Formula: C34H66NO10P (679.4424) Adducts: [M+NH4]+ (Ppm: 12.7) |
Homo sapiens (colorectal adenocarcinoma) |
120TopL, 90TopR, 110BottomL, 100BottomR-centroidResolution: 50μm, 132x136
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