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 11 Reference Ions Near m/z 727.5203
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000055543 Reliable 727.5295 727.5294 ~ 727.5297
MzDiff: 1.3 ppm
PA(16:1(9Z)/22:2(13Z,16Z)) (BioDeep_00000107222)
Formula: C41H75O8P (726.5199)
8.85 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000058179 Reliable 727.5215 727.5211 ~ 727.5219
MzDiff: 3.2 ppm
PC(14:0/18:3(9Z,12Z,15Z)) (BioDeep_00000019200)
Formula: C40H74NO8P (727.5152)
6.98 (86%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000056689 Reliable 727.5285 727.5282 ~ 727.529
MzDiff: 3.4 ppm
PA(16:1(9Z)/22:2(13Z,16Z)) (BioDeep_00000107222)
Formula: C41H75O8P (726.5199)
12.84 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065429 Unreliable 727.5285 727.5282 ~ 727.5286
MzDiff: 1.9 ppm
PA(16:1(9Z)/22:2(13Z,16Z)) (BioDeep_00000107222)
Formula: C41H75O8P (726.5199)
3.31 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000056799 Unreliable 727.5204 727.5201 ~ 727.5209
MzDiff: 3.6 ppm
PC(14:0/18:3(9Z,12Z,15Z)) (BioDeep_00000019200)
Formula: C40H74NO8P (727.5152)
4.27 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000051815 Unreliable 727.5244 727.5244 ~ 727.5244
MzDiff: none
Not Annotated 2.43 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000026720 Unreliable 727.5116 727.5113 ~ 727.5119
MzDiff: 2.5 ppm
SM(d16:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215283)
Formula: C43H75N2O7P (762.5312)
3.83 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000004459 Unreliable 727.5114 727.5114 ~ 727.5114
MzDiff: none
PA(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000107394)
Formula: C39H61O8P (688.4104)
0.56 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000026797 Unreliable 727.5119 727.5119 ~ 727.5119
MzDiff: none
SM(d16:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215283)
Formula: C43H75N2O7P (762.5312)
1.79 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000027140 Unreliable 727.5182 727.5182 ~ 727.5182
MzDiff: none
PA(16:1(9Z)/22:2(13Z,16Z)) (BioDeep_00000107222)
Formula: C41H75O8P (726.5199)
1.77 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000029708 Unavailable 727.5148 727.5148 ~ 727.5148
MzDiff: none
PE(14:0/20:5(5Z,8Z,11Z,14Z,17Z)) (BioDeep_00000030095)
Formula: C39H68NO8P (709.4682)
-0.17 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum

Found 20 Sample Hits
Metabolite Species Sample
PA(16:1(9Z)/22:2(13Z,16Z))

Formula: C41H75O8P (726.5199)
Adducts: [M+H]+ (Ppm: 18.4)
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(16:1(9Z)/22:2(13Z,16Z))

Formula: C41H75O8P (726.5199)
Adducts: [M+H]+ (Ppm: 12.4)
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.

PC(14:0/18:3(9Z,12Z,15Z))

Formula: C40H74NO8P (727.5152)
Adducts: [M]+ (Ppm: 10)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PA(16:1(9Z)/22:2(13Z,16Z))

Formula: C41H75O8P (726.5199)
Adducts: [M+H]+ (Ppm: 19.4)
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.

1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol

Formula: C41H74O10 (726.5282)
Adducts: [M+H]+ (Ppm: 11.7)
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.

m/z_727.5197

Formula: - (n/a)
Adducts: (Ppm: 0)
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(d16:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C43H75N2O7P (762.5312)
Adducts: [M+H-2H2O]+ (Ppm: 1.2)
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(14:0/18:3(9Z,12Z,15Z))

Formula: C40H74NO8P (727.5152)
Adducts: [M]+ (Ppm: 7.8)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

PC(14:0/18:3(9Z,12Z,15Z))

Formula: C40H74NO8P (727.5152)
Adducts: [M]+ (Ppm: 9.2)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PC(14:0/18:3(9Z,12Z,15Z))

Formula: C40H74NO8P (727.5152)
Adducts: [M]+ (Ppm: 13)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

PA(16:1(9Z)/22:2(13Z,16Z))

Formula: C41H75O8P (726.5199)
Adducts: [M+H]+ (Ppm: 1.1)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

PA(16:1(9Z)/22:2(13Z,16Z))

Formula: C41H75O8P (726.5199)
Adducts: [M+H]+ (Ppm: 1.1)
Homo sapiens (esophagus)
LNTO30_8M_2
Resolution: 75μm, 108x68

Description

SM(d16:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C43H75N2O7P (762.5312)
Adducts: [M+H-2H2O]+ (Ppm: 6.3)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PA(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))

Formula: C39H61O8P (688.4104)
Adducts: [M+K]+ (Ppm: 16.7)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PC(14:0/18:3(9Z,12Z,15Z))

Formula: C40H74NO8P (727.5152)
Adducts: [M]+ (Ppm: 7.1)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PC(14:0/18:3(9Z,12Z,15Z))

Formula: C40H74NO8P (727.5152)
Adducts: [M]+ (Ppm: 8.9)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PC(14:0/18:3(9Z,12Z,15Z))

Formula: C40H74NO8P (727.5152)
Adducts: [M]+ (Ppm: 8.9)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PC(14:0/18:3(9Z,12Z,15Z))

Formula: C40H74NO8P (727.5152)
Adducts: [M]+ (Ppm: 8.9)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

PC(14:0/18:3(9Z,12Z,15Z))

Formula: C40H74NO8P (727.5152)
Adducts: [M]+ (Ppm: 7.5)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

m/z_727.5209

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (esophagus)
LNTO30_7_1
Resolution: 75μm, 69x68

Description