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 12 Reference Ions Near m/z 844.5679
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000055526 Unreliable 844.5652 844.5651 ~ 844.5655
MzDiff: 1.7 ppm
PE(20:0/PGE2) (BioDeep_00000186838)
Formula: C45H82NO11P (843.5625)
4.4 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000056740 Unreliable 844.5626 844.5624 ~ 844.563
MzDiff: 2.2 ppm
PS(20:3(8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) (BioDeep_00000104989)
Formula: C48H80NO10P (861.552)
5.12 (60%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043609 Unreliable 844.5654 844.5652 ~ 844.5655
MzDiff: 1.0 ppm
PE(20:0/PGE2) (BioDeep_00000186838)
Formula: C45H82NO11P (843.5625)
2.56 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000046893 Unreliable 844.5598 844.5598 ~ 844.5598
MzDiff: none
PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211694)
Formula: C48H78NO9P (843.5414)
3.2 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000046894 Unreliable 844.5679 844.5679 ~ 844.5679
MzDiff: none
PE(20:0/PGE2) (BioDeep_00000186838)
Formula: C45H82NO11P (843.5625)
3.2 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000046933 Unreliable 844.5753 844.5753 ~ 844.5753
MzDiff: none
Not Annotated 3.12 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052015 Unreliable 844.5634 844.5634 ~ 844.5634
MzDiff: none
PE(20:0/PGE2) (BioDeep_00000186838)
Formula: C45H82NO11P (843.5625)
2.35 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052129 Unreliable 844.5714 844.5714 ~ 844.5714
MzDiff: none
PE(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000030779)
Formula: C49H82NO8P (843.5778)
2.31 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000065387 Unreliable 844.5627 844.5626 ~ 844.5628
MzDiff: 0.9 ppm
PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211694)
Formula: C48H78NO9P (843.5414)
2.42 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000027111 Unreliable 844.5584 844.5584 ~ 844.5584
MzDiff: none
PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211694)
Formula: C48H78NO9P (843.5414)
1.77 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000044456 Unavailable 844.5586 844.5586 ~ 844.5586
MzDiff: none
PE(20:0/PGE2) (BioDeep_00000186838)
Formula: C45H82NO11P (843.5625)
-0.28 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000056112 Unavailable 844.5652 844.5652 ~ 844.5652
MzDiff: none
PE(20:0/PGE2) (BioDeep_00000186838)
Formula: C45H82NO11P (843.5625)
-0.55 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 20 Sample Hits
Metabolite Species Sample
m/z_844.5651

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(20:0/PGE2)

Formula: C45H82NO11P (843.5625)
Adducts: [M+H]+ (Ppm: 6.7)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PE(20:0/PGE2)

Formula: C45H82NO11P (843.5625)
Adducts: [M+H]+ (Ppm: 5.1)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

PE(20:0/PGE2)

Formula: C45H82NO11P (843.5625)
Adducts: [M+H]+ (Ppm: 5.9)
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.

PE(20:0/PGE2)

Formula: C45H82NO11P (843.5625)
Adducts: [M+H]+ (Ppm: 2.2)
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(20:0/PGE2)

Formula: C45H82NO11P (843.5625)
Adducts: [M+H]+ (Ppm: 7.6)
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).

PE(20:0/PGE2)

Formula: C45H82NO11P (843.5625)
Adducts: [M+H]+ (Ppm: 6)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

PE(20:0/PGE2)

Formula: C45H82NO11P (843.5625)
Adducts: [M+H]+ (Ppm: 5.4)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PE(20:0/PGE2)

Formula: C45H82NO11P (843.5625)
Adducts: [M+H]+ (Ppm: 6.4)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PS(20:3(8Z,11Z,14Z)/22:4(7Z,10Z,13Z,16Z))

Formula: C48H80NO10P (861.552)
Adducts: [M+H-H2O]+ (Ppm: 18.2)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

PE(20:0/PGE2)

Formula: C45H82NO11P (843.5625)
Adducts: [M+H]+ (Ppm: 3.2)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PE(20:0/PGE2)

Formula: C45H82NO11P (843.5625)
Adducts: [M+H]+ (Ppm: 5.7)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PE(20:0/PGE2)

Formula: C45H82NO11P (843.5625)
Adducts: [M+H]+ (Ppm: 5.6)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PE(20:0/PGE2)

Formula: C45H82NO11P (843.5625)
Adducts: [M+H]+ (Ppm: 6.5)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PE(20:0/PGE2)

Formula: C45H82NO11P (843.5625)
Adducts: [M+H]+ (Ppm: 6.6)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PE(20:0/PGE2)

Formula: C45H82NO11P (843.5625)
Adducts: [M+H]+ (Ppm: 6.2)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C48H78NO9P (843.5414)
Adducts: [M+H]+ (Ppm: 16.7)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C48H78NO9P (843.5414)
Adducts: [M+H]+ (Ppm: 17.4)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C48H78NO9P (843.5414)
Adducts: [M+H]+ (Ppm: 16.5)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C48H78NO9P (843.5414)
Adducts: [M+H]+ (Ppm: 17.3)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description