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 19 Reference Ions Near m/z 864.6799
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000046774 Reliable 864.6866 864.6866 ~ 864.6866
MzDiff: none
PE(22:2(13Z,16Z)/24:1(15Z)) (BioDeep_00000030781)
Formula: C51H96NO8P (881.6873)
3.46 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000007258 Unreliable 864.6883 864.6881 ~ 864.6884
MzDiff: 1.5 ppm
PE(22:2(13Z,16Z)/24:1(15Z)) (BioDeep_00000030781)
Formula: C51H96NO8P (881.6873)
4.6 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000063449 Unreliable 864.6884 864.6884 ~ 864.6884
MzDiff: 0.0 ppm
PE(22:2(13Z,16Z)/24:1(15Z)) (BioDeep_00000030781)
Formula: C51H96NO8P (881.6873)
2.87 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000001186 Unavailable 864.682 864.682 ~ 864.682
MzDiff: none
PE(22:2(13Z,16Z)/24:1(15Z)) (BioDeep_00000030781)
Formula: C51H96NO8P (881.6873)
-0.46 (100%) Mus musculus
[UBERON:0001224] renal pelvis
MSI_000001779 Unavailable 864.682 864.682 ~ 864.682
MzDiff: none
PE(22:2(13Z,16Z)/24:1(15Z)) (BioDeep_00000030781)
Formula: C51H96NO8P (881.6873)
-0.59 (100%) Mus musculus
[UBERON:0001225] cortex of kidney
MSI_000002284 Unavailable 864.682 864.682 ~ 864.682
MzDiff: none
PE(22:2(13Z,16Z)/24:1(15Z)) (BioDeep_00000030781)
Formula: C51H96NO8P (881.6873)
-0.62 (100%) Mus musculus
[UBERON:0001293] outer medulla of kidney
MSI_000002765 Unavailable 864.6847 864.6847 ~ 864.6847
MzDiff: none
PE(22:2(13Z,16Z)/24:1(15Z)) (BioDeep_00000030781)
Formula: C51H96NO8P (881.6873)
-0.42 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000002980 Unavailable 864.6761 864.6761 ~ 864.6761
MzDiff: none
n-(3,4-dihydroxy-1-{[hydroxy((2,3,4,5,6-pentahydroxycyclohexyl)oxy)phosphoryl]oxy}octadecan-2-yl)octadecanimidic acid (BioDeep_00002093171)
Formula: C42H84NO12P (825.5731)
-0.75 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003605 Unavailable 864.6847 864.6847 ~ 864.6847
MzDiff: none
PE(22:2(13Z,16Z)/24:1(15Z)) (BioDeep_00000030781)
Formula: C51H96NO8P (881.6873)
-0.71 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000003679 Unavailable 864.6761 864.6761 ~ 864.6761
MzDiff: none
n-(3,4-dihydroxy-1-{[hydroxy((2,3,4,5,6-pentahydroxycyclohexyl)oxy)phosphoryl]oxy}octadecan-2-yl)octadecanimidic acid (BioDeep_00002093171)
Formula: C42H84NO12P (825.5731)
-1.04 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000004753 Unreliable 864.6847 864.6847 ~ 864.6847
MzDiff: none
PE(22:2(13Z,16Z)/24:1(15Z)) (BioDeep_00000030781)
Formula: C51H96NO8P (881.6873)
2.25 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000004787 Unreliable 864.6761 864.6761 ~ 864.6761
MzDiff: none
n-(3,4-dihydroxy-1-{[hydroxy((2,3,4,5,6-pentahydroxycyclohexyl)oxy)phosphoryl]oxy}octadecan-2-yl)octadecanimidic acid (BioDeep_00002093171)
Formula: C42H84NO12P (825.5731)
2.02 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005599 Unreliable 864.6761 864.6761 ~ 864.6761
MzDiff: none
n-(3,4-dihydroxy-1-{[hydroxy((2,3,4,5,6-pentahydroxycyclohexyl)oxy)phosphoryl]oxy}octadecan-2-yl)octadecanimidic acid (BioDeep_00002093171)
Formula: C42H84NO12P (825.5731)
0.08 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000005699 Unavailable 864.6847 864.6847 ~ 864.6847
MzDiff: none
PE(22:2(13Z,16Z)/24:1(15Z)) (BioDeep_00000030781)
Formula: C51H96NO8P (881.6873)
-0.49 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000026434 Unreliable 864.6866 864.6866 ~ 864.6866
MzDiff: none
PE(22:2(13Z,16Z)/24:1(15Z)) (BioDeep_00000030781)
Formula: C51H96NO8P (881.6873)
1.79 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000026577 Unreliable 864.6813 864.6813 ~ 864.6813
MzDiff: none
Not Annotated 1.79 (0%) Mus musculus
[UBERON:0002048] lung
MSI_000028450 Unreliable 864.6828 864.6828 ~ 864.6828
MzDiff: none
Not Annotated 1.1 (0%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029561 Unreliable 864.6828 864.6828 ~ 864.6828
MzDiff: none
Not Annotated 0.38 (0%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000044414 Unavailable 864.6882 864.6882 ~ 864.6882
MzDiff: none
PE(22:2(13Z,16Z)/24:1(15Z)) (BioDeep_00000030781)
Formula: C51H96NO8P (881.6873)
-0.17 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb

Found 7 Sample Hits
Metabolite Species Sample
PE(22:2(13Z,16Z)/24:1(15Z))

Formula: C51H96NO8P (881.6873)
Adducts: [M+H-H2O]+ (Ppm: 2.3)
Mus musculus (Kidney)
FULL_MS_centriod_CHCA_20210819
Resolution: 17μm, 638x437

Description

AP-MALDI instrument demo test, mass spectrum scan in centroid mode.

n-(3,4-dihydroxy-1-{[hydroxy((2,3,4,5,6-pentahydroxycyclohexyl)oxy)phosphoryl]oxy}octadecan-2-yl)octadecanimidic acid

Formula: C42H84NO12P (825.5731)
Adducts: [M+K]+ (Ppm: 6.1)
Rattus norvegicus (Brain)
Spectroswiss - sol_2x_br_2
Resolution: 17μm, 488x193

Description

PE(22:2(13Z,16Z)/24:1(15Z))

Formula: C51H96NO8P (881.6873)
Adducts: [M+H-H2O]+ (Ppm: 1.7)
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.

m/z_864.6813

Formula: - (n/a)
Adducts: (Ppm: 0)
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.

PE(22:2(13Z,16Z)/24:1(15Z))

Formula: C51H96NO8P (881.6873)
Adducts: [M+H-H2O]+ (Ppm: 2.9)
Mus musculus (Lung)
image5
Resolution: 40μm, 163x183

Description

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.

m/z_864.6828

Formula: - (n/a)
Adducts: (Ppm: 0)
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

PE(22:2(13Z,16Z)/24:1(15Z))

Formula: C51H96NO8P (881.6873)
Adducts: [M+H-H2O]+ (Ppm: 3)
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.