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 4 Reference Ions Near m/z 681.4957
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000053158 Reliable 681.4958 681.4957 ~ 681.496
MzDiff: 1.4 ppm
PA(14:1(9Z)/22:2(13Z,16Z)) (BioDeep_00000107161)
Formula: C39H71O8P (698.4886)
5.9 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000058266 Reliable 681.4948 681.4947 ~ 681.4949
MzDiff: 0.7 ppm
PA(14:1(9Z)/22:2(13Z,16Z)) (BioDeep_00000107161)
Formula: C39H71O8P (698.4886)
3.59 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000010090 Unreliable 681.4944 681.4944 ~ 681.4944
MzDiff: none
(1r)-1,13-dihydroxy-1-[(2r,5r)-5-[(1r)-1-hydroxytridecyl]oxolan-2-yl]-15-[(5s)-5-methyl-2-oxo-5h-furan-3-yl]-8-oxopentadecan-3-yl acetate (BioDeep_00002145767)
Formula: C39H68O9 (680.4863)
0.04 (100%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000055914 Unavailable 681.4965 681.4965 ~ 681.4965
MzDiff: none
PA(14:1(9Z)/22:2(13Z,16Z)) (BioDeep_00000107161)
Formula: C39H71O8P (698.4886)
-0.34 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 15 Sample Hits
Metabolite Species Sample
(1r)-1,13-dihydroxy-1-[(2r,5r)-5-[(1r)-1-hydroxytridecyl]oxolan-2-yl]-15-[(5s)-5-methyl-2-oxo-5h-furan-3-yl]-8-oxopentadecan-3-yl acetate

Formula: C39H68O9 (680.4863)
Adducts: [M+H]+ (Ppm: 1.2)
Bathymodiolus (epithelial host cells)
MPIMM_039_QE_P_BP_CF_Bputeoserpentis_MALDI-FISH8_Sl14_s1_DHB_233x233_3um
Resolution: 3μm, 233x234

Description

m/z_681.487

Formula: - (n/a)
Adducts: (Ppm: 0)
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(14:1(9Z)/22:2(13Z,16Z))

Formula: C39H71O8P (698.4886)
Adducts: [M+H-H2O]+ (Ppm: 15.3)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PA(14:1(9Z)/22:2(13Z,16Z))

Formula: C39H71O8P (698.4886)
Adducts: [M+H-H2O]+ (Ppm: 14)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

PA(14:1(9Z)/22:2(13Z,16Z))

Formula: C39H71O8P (698.4886)
Adducts: [M+H-H2O]+ (Ppm: 16.7)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

PA(14:1(9Z)/22:2(13Z,16Z))

Formula: C39H71O8P (698.4886)
Adducts: [M+H-H2O]+ (Ppm: 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.

PA(14:1(9Z)/22:2(13Z,16Z))

Formula: C39H71O8P (698.4886)
Adducts: [M+H-H2O]+ (Ppm: 13.9)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

PA(14:1(9Z)/22:2(13Z,16Z))

Formula: C39H71O8P (698.4886)
Adducts: [M+H-H2O]+ (Ppm: 16.4)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PA(14:1(9Z)/22:2(13Z,16Z))

Formula: C39H71O8P (698.4886)
Adducts: [M+H-H2O]+ (Ppm: 15.2)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PA(14:1(9Z)/22:2(13Z,16Z))

Formula: C39H71O8P (698.4886)
Adducts: [M+H-H2O]+ (Ppm: 15.6)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PA(14:1(9Z)/22:2(13Z,16Z))

Formula: C39H71O8P (698.4886)
Adducts: [M+H-H2O]+ (Ppm: 15.6)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PA(14:1(9Z)/22:2(13Z,16Z))

Formula: C39H71O8P (698.4886)
Adducts: [M+H-H2O]+ (Ppm: 15.2)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PA(14:1(9Z)/22:2(13Z,16Z))

Formula: C39H71O8P (698.4886)
Adducts: [M+H-H2O]+ (Ppm: 18.1)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PA(14:1(9Z)/22:2(13Z,16Z))

Formula: C39H71O8P (698.4886)
Adducts: [M+H-H2O]+ (Ppm: 15.6)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

PA(14:1(9Z)/22:2(13Z,16Z))

Formula: C39H71O8P (698.4886)
Adducts: [M+H-H2O]+ (Ppm: 13.7)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description