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 14 Reference Ions Near m/z 836.5242
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000046499 Reliable 836.5154 836.5154 ~ 836.5154
MzDiff: none
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018546)
Formula: C49H74NO8P (835.5152)
4.37 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000047389 Unreliable 836.5242 836.5242 ~ 836.5242
MzDiff: none
Dinophysistoxin 1 (BioDeep_00000011452)
Formula: C45H70O13 (818.4816)
2.33 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047479 Unreliable 836.5323 836.5323 ~ 836.5323
MzDiff: none
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018546)
Formula: C49H74NO8P (835.5152)
2.27 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052036 Unreliable 836.5338 836.5338 ~ 836.5338
MzDiff: none
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018546)
Formula: C49H74NO8P (835.5152)
2.34 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052068 Unreliable 836.526 836.526 ~ 836.526
MzDiff: none
Dinophysistoxin 1 (BioDeep_00000011452)
Formula: C45H70O13 (818.4816)
2.34 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000021310 Unreliable 836.5194 836.5194 ~ 836.5194
MzDiff: none
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018546)
Formula: C49H74NO8P (835.5152)
1.15 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000022032 Unreliable 836.5269 836.5269 ~ 836.5269
MzDiff: none
Quinquenoside F1 (BioDeep_00000024539)
Formula: C42H74O15 (818.5027)
0.49 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000055677 Unreliable 836.5324 836.532 ~ 836.5327
MzDiff: 2.9 ppm
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018546)
Formula: C49H74NO8P (835.5152)
0.82 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000030350 Unreliable 836.5155 836.5155 ~ 836.5155
MzDiff: none
PE(20:3(5Z,8Z,11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000187196)
Formula: C45H74NO11P (835.4999)
1.9 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000030466 Unreliable 836.53 836.53 ~ 836.53
MzDiff: none
PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018559)
Formula: C46H78NO10P (835.5363)
1.73 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000030484 Unreliable 836.5227 836.5227 ~ 836.5227
MzDiff: none
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018546)
Formula: C49H74NO8P (835.5152)
1.69 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031453 Unreliable 836.5227 836.5227 ~ 836.5227
MzDiff: none
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018546)
Formula: C49H74NO8P (835.5152)
0.7 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000031498 Unreliable 836.5155 836.5155 ~ 836.5155
MzDiff: none
PE(20:3(5Z,8Z,11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000187196)
Formula: C45H74NO11P (835.4999)
0.57 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000031749 Unavailable 836.53 836.53 ~ 836.53
MzDiff: none
PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018559)
Formula: C46H78NO10P (835.5363)
-0.07 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex

Found 14 Sample Hits
Metabolite Species Sample
Dinophysistoxin 1

Formula: C45H70O13 (818.4816)
Adducts: [M+NH4]+ (Ppm: 4.6)
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_836.5243

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

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C49H74NO8P (835.5152)
Adducts: [M+H]+ (Ppm: 0.3)
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(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C49H74NO8P (835.5152)
Adducts: [M+H]+ (Ppm: 11.4)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C49H74NO8P (835.5152)
Adducts: [M+H]+ (Ppm: 8.4)
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.

Dinophysistoxin 1

Formula: C45H70O13 (818.4816)
Adducts: [M+NH4]+ (Ppm: 10.5)
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).

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

Formula: C45H74NO11P (835.4999)
Adducts: [M+H]+ (Ppm: 19.6)
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).

Dinophysistoxin 1

Formula: C45H70O13 (818.4816)
Adducts: [M+NH4]+ (Ppm: 12.6)
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).

Dinophysistoxin 1

Formula: C45H70O13 (818.4816)
Adducts: [M+NH4]+ (Ppm: 12.4)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C49H74NO8P (835.5152)
Adducts: [M+H]+ (Ppm: 9.4)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

Dinophysistoxin 1

Formula: C45H70O13 (818.4816)
Adducts: [M+NH4]+ (Ppm: 17.2)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C49H74NO8P (835.5152)
Adducts: [M+H]+ (Ppm: 8.2)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

Dinophysistoxin 1

Formula: C45H70O13 (818.4816)
Adducts: [M+NH4]+ (Ppm: 12)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H78NO10P (835.5363)
Adducts: [M+H]+ (Ppm: 10.6)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description