在BioDeep NovoCell知识数据库中,参考离子总共被划分为4个级别。
  • 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 26 Reference Ions Near m/z 785.5956
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006654 Reliable 785.5889 785.5889 ~ 785.5889
MzDiff: 0.2 ppm
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
7.7 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000015997 Unreliable 785.5888 785.5887 ~ 785.5888
MzDiff: 0.7 ppm
PC(18:0/18:2(9Z,12Z)) (BioDeep_00000019220)
Formula: C44H84NO8P (785.5934)
2.87 (100%) Vitis vinifera
[PO:0009085] exocarp
MSI_000010360 Unavailable 785.5884 785.5884 ~ 785.5884
MzDiff: 0.1 ppm
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
-0.97 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000061324 Unreliable 785.5873 785.5873 ~ 785.5874
MzDiff: 0.8 ppm
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
2.09 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000011918 Unavailable 785.5884 785.5884 ~ 785.5884
MzDiff: 0.0 ppm
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
-0.38 (100%) Bathymodiolus
[UBERON:2000211] gill lamella
MSI_000021925 Unreliable 785.586 785.586 ~ 785.586
MzDiff: none
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
0.54 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000027617 Unreliable 785.5913 785.5912 ~ 785.5915
MzDiff: 1.4 ppm
PA(18:1(11Z)/24:1(15Z)) (BioDeep_00000107276)
Formula: C45H85O8P (784.5982)
2.21 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000043778 Unreliable 785.5919 785.5919 ~ 785.5919
MzDiff: none
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
1.31 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000064891 Unreliable 785.5864 785.5864 ~ 785.5865
MzDiff: 0.5 ppm
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
0.8 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000002558 Unreliable 785.5871 785.5871 ~ 785.5871
MzDiff: none
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
0.39 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003067 Unreliable 785.5871 785.5871 ~ 785.5871
MzDiff: none
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
2.29 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000004568 Unreliable 785.589 785.589 ~ 785.589
MzDiff: none
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
0.43 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000005182 Unavailable 785.5871 785.5871 ~ 785.5871
MzDiff: none
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
-0.67 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005789 Unavailable 785.5871 785.5871 ~ 785.5871
MzDiff: none
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
-0.65 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000022875 Unreliable 785.586 785.586 ~ 785.586
MzDiff: none
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
0.9 (100%) Mus musculus
[UBERON:0004250] upper arm bone
MSI_000028058 Unreliable 785.5956 785.5956 ~ 785.5956
MzDiff: none
PA(18:1(11Z)/24:1(15Z)) (BioDeep_00000107276)
Formula: C45H85O8P (784.5982)
2.22 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028414 Unreliable 785.6006 785.6006 ~ 785.6006
MzDiff: none
Not Annotated 1.19 (0%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028630 Unreliable 785.5876 785.5876 ~ 785.5876
MzDiff: none
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
0.71 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000030511 Unreliable 785.5876 785.5876 ~ 785.5876
MzDiff: none
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
1.63 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000044130 Unreliable 785.5872 785.5872 ~ 785.5872
MzDiff: none
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
1.29 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000058721 Unreliable 785.5874 785.5874 ~ 785.5874
MzDiff: none
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
1.44 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000060100 Unavailable 785.5865 785.5865 ~ 785.5865
MzDiff: none
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
-0.95 (100%) Mus musculus
[UBERON:0002298] brainstem
MSI_000060432 Unavailable 785.5865 785.5865 ~ 785.5865
MzDiff: none
PE(18:0/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000014071)
Formula: C43H78NO8P (767.5465)
-0.09 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000061607 Unavailable 785.5993 785.5993 ~ 785.5993
MzDiff: none
PA(18:1(11Z)/24:1(15Z)) (BioDeep_00000107276)
Formula: C45H85O8P (784.5982)
-0.35 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000062350 Unavailable 785.5993 785.5993 ~ 785.5993
MzDiff: none
PA(18:1(11Z)/24:1(15Z)) (BioDeep_00000107276)
Formula: C45H85O8P (784.5982)
-0.35 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062783 Unavailable 785.5993 785.5993 ~ 785.5993
MzDiff: none
PA(18:1(11Z)/24:1(15Z)) (BioDeep_00000107276)
Formula: C45H85O8P (784.5982)
-0.35 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 8 Sample Hits
Metabolite Species Sample
PA(18:1(11Z)/24:1(15Z))

Formula: C45H85O8P (784.5982)
Adducts: [M+H]+ (Ppm: 16.7)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

PA(18:1(11Z)/24:1(15Z))

Formula: C45H85O8P (784.5982)
Adducts: [M+H]+ (Ppm: 19.8)
Mus musculus (Lung)
image3
Resolution: 40μm, 146x190

Description

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.

PA(18:1(11Z)/24:1(15Z))

Formula: C45H85O8P (784.5982)
Adducts: [M+H]+ (Ppm: 18.1)
Mus musculus (Lung)
image4
Resolution: 40μm, 162x156

Description

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.

PA(18:1(11Z)/24:1(15Z))

Formula: C45H85O8P (784.5982)
Adducts: [M+H]+ (Ppm: 17.8)
Mus musculus (Lung)
image2
Resolution: 40μm, 550x256

Description

Supplementary Figure S6. Ion distribution images for (a) [PC36:4+Na]+ (m/z 804.5514) and (b) [PC38:6+Na]+ (m/z 828.5515) obtained from mouse lung tissue collected 6 h after administration of D9- choline and U13C-DPPC–containing CHF5633. Parts-per-million (ppm) mass errors are indicated in parentheses. (c) Magnification of the boxed region in (a) with selected bronchiolar regions outlined in white boxes. (d) The corresponding H&E-stained tissue section with the same selected bronchiolar regions outlined in black boxes. These data demonstrate the co-localisation of the polyunsaturated lipids PC36:4 and PC38:6 with the bronchiolar regions of the lung. All MSI images were visualised using total ion current normalisation and hotspot removal (high quantile = 99%).

PA(18:1(11Z)/24:1(15Z))

Formula: C45H85O8P (784.5982)
Adducts: [M+H]+ (Ppm: 12.5)
Macropus giganteus (Brain)
170321_kangaroobrain-dan3-pos_maxof50.0_med1
Resolution: 50μm, 81x50

Description

Sample information Organism: Macropus giganteus (kangaroo) Organism part: Brain Condition: Wildtype Sample growth conditions: Wild

PC(18:1(9Z)/18:1(9Z))

Formula: C44H84NO8P (785.5934)
Adducts: [M]+ (Ppm: 8.9)
Mus musculus (Liver)
Salmonella_final_pos_recal
Resolution: 17μm, 691x430

Description

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.

PC(18:1(9Z)/18:1(9Z))

Formula: C44H84NO8P (785.5934)
Adducts: [M-H2O+NH4]+ (Ppm: 15.1)
Mus musculus (Liver)
Salmonella_final_pos_recal
Resolution: 17μm, 691x430

Description

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.

PE(18:0/20:4(5Z,8Z,11Z,14Z))

Formula: C43H78NO8P (767.5465)
Adducts: [M+NH4]+ (Ppm: 13.9)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description