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 17 Reference Ions Near m/z 766.5258
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000046962 Unreliable 766.5338 766.5338 ~ 766.5338
MzDiff: none
PA(16:0/PGF1alpha) (BioDeep_00000188358)
Formula: C39H73O11P (748.489)
3.09 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047035 Unreliable 766.5267 766.5267 ~ 766.5267
MzDiff: none
PC(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (BioDeep_00000029449)
Formula: C46H76NO8P (801.5308)
2.95 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047516 Unreliable 766.5195 766.5195 ~ 766.5195
MzDiff: none
(20E)-Ginsenoside F4 (BioDeep_00000017394)
Formula: C42H70O12 (766.4867)
2.25 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051670 Unreliable 766.5351 766.5351 ~ 766.5351
MzDiff: none
DG(17:0/LTE4/0:0) (BioDeep_00000220670)
Formula: C43H75NO8S (765.5213)
2.69 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000051725 Unreliable 766.5297 766.5297 ~ 766.5297
MzDiff: none
PC(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (BioDeep_00000029449)
Formula: C46H76NO8P (801.5308)
2.53 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052074 Unreliable 766.5226 766.5226 ~ 766.5226
MzDiff: none
(20E)-Ginsenoside F4 (BioDeep_00000017394)
Formula: C42H70O12 (766.4867)
2.33 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000065622 Unreliable 766.5164 766.5163 ~ 766.5166
MzDiff: 1.0 ppm
PE(15:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000185850)
Formula: C42H72NO9P (765.4944)
2.3 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000062883 Unreliable 766.5162 766.5161 ~ 766.5163
MzDiff: 0.6 ppm
(20E)-Ginsenoside F4 (BioDeep_00000017394)
Formula: C42H70O12 (766.4867)
1.65 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000001193 Unavailable 766.5356 766.5356 ~ 766.5356
MzDiff: none
Azithromycin (BioDeep_00000002907)
Formula: C38H72N2O12 (748.5085)
-0.47 (100%) Mus musculus
[UBERON:0001224] renal pelvis
MSI_000001661 Unavailable 766.5356 766.5356 ~ 766.5356
MzDiff: none
Azithromycin (BioDeep_00000002907)
Formula: C38H72N2O12 (748.5085)
-0.48 (100%) Mus musculus
[UBERON:0001225] cortex of kidney
MSI_000002125 Unavailable 766.5356 766.5356 ~ 766.5356
MzDiff: none
Azithromycin (BioDeep_00000002907)
Formula: C38H72N2O12 (748.5085)
-0.48 (100%) Mus musculus
[UBERON:0001293] outer medulla of kidney
MSI_000026830 Unreliable 766.5287 766.5287 ~ 766.5287
MzDiff: none
PC(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (BioDeep_00000029449)
Formula: C46H76NO8P (801.5308)
1.79 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000027071 Unreliable 766.5318 766.5318 ~ 766.5318
MzDiff: none
PE(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) (BioDeep_00000018578)
Formula: C43H76NO8P (765.5308)
1.77 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000029053 Unreliable 766.5197 766.5197 ~ 766.5197
MzDiff: none
DG(17:0/LTE4/0:0) (BioDeep_00000220670)
Formula: C43H75NO8S (765.5213)
2.34 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000029076 Unreliable 766.5258 766.5258 ~ 766.5258
MzDiff: none
PE(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) (BioDeep_00000018578)
Formula: C43H76NO8P (765.5308)
2.15 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000061518 Unavailable 766.5163 766.5163 ~ 766.5163
MzDiff: none
(20E)-Ginsenoside F4 (BioDeep_00000017394)
Formula: C42H70O12 (766.4867)
-0.34 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000062485 Unavailable 766.5163 766.5163 ~ 766.5163
MzDiff: none
(20E)-Ginsenoside F4 (BioDeep_00000017394)
Formula: C42H70O12 (766.4867)
-0.38 (100%) Mus musculus
[UBERON:0001950] neocortex

Found 10 Sample Hits
Metabolite Species Sample
DG(17:0/LTE4/0:0)

Formula: C43H75NO8S (765.5213)
Adducts: [M+H]+ (Ppm: 1.2)
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.

PC(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C46H76NO8P (801.5308)
Adducts: [M+H-2H2O]+ (Ppm: 15.3)
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(16:0/22:5(4Z,7Z,10Z,13Z,16Z))

Formula: C43H76NO8P (765.5308)
Adducts: [M+H]+ (Ppm: 8.2)
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.

DG(17:0/LTE4/0:0)

Formula: C43H75NO8S (765.5213)
Adducts: [M+H]+ (Ppm: 11.6)
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(16:0/22:5(4Z,7Z,10Z,13Z,16Z))

Formula: C43H76NO8P (765.5308)
Adducts: [M+H]+ (Ppm: 16.1)
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

Azithromycin

Formula: C38H72N2O12 (748.5085)
Adducts: [M+NH4]+ (Ppm: 17.1)
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.

PC(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C46H76NO8P (801.5308)
Adducts: [M+H-2H2O]+ (Ppm: 12.7)
Homo sapiens (colorectal adenocarcinoma)
80TopL, 50TopR, 70BottomL, 60BottomR-profile
Resolution: 17μm, 137x136

Description

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).

SM(d16:2(4E,8Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C41H71N2O9P (766.4897)
Adducts: [M-H2O+NH4]+ (Ppm: 13.4)
Homo sapiens (colorectal adenocarcinoma)
520TopL, 490TopR, 510BottomL, 500BottomR-profile
Resolution: 17μm, 147x131

Description

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).

(20E)-Ginsenoside F4

Formula: C42H70O12 (766.4867)
Adducts: [M-H2O+NH4]+ (Ppm: 16.5)
Homo sapiens (colorectal adenocarcinoma)
439TopL, 409TopR, 429BottomL, 419BottomR-profile
Resolution: 17μm, 157x136

Description

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).

PC(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C46H76NO8P (801.5308)
Adducts: [M+H-2H2O]+ (Ppm: 15.2)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description