M/Z: 682.471


Hit 2 annotations:  PE(15:0/18:3(6Z,9Z,12Z))_[M+H-H2O]+; Enniatin A_[M+H]+


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 682.471
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000011318 Unreliable 682.4691 682.4691 ~ 682.4691
MzDiff: none
PE(15:0/18:3(6Z,9Z,12Z)) (BioDeep_00000030150)
Formula: C38H70NO8P (699.4839)
1.12 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011320 Unreliable 682.4623 682.4623 ~ 682.4623
MzDiff: none
Enniatin A (BioDeep_00000178707)
Formula: C36H63N3O9 (681.4564)
1.09 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011328 Unreliable 682.4755 682.4755 ~ 682.4755
MzDiff: none
methyl 3-[(3s,3ar,4r,5ar,6s,7s,9ar,9br)-3-[(2s)-2-hydroxy-6-methyl-5-methylideneheptan-2-yl]-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydrocyclopenta[a]naphthalen-6-yl]propanoate (BioDeep_00002057811)
Formula: C38H64O9 (664.455)
1.06 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000010500 Unavailable 682.4766 682.4766 ~ 682.4766
MzDiff: 0.0 ppm
PE(15:0/18:3(6Z,9Z,12Z)) (BioDeep_00000030150)
Formula: C38H70NO8P (699.4839)
-1.6 (67%) Bathymodiolus
[UBERON:0009120] gill filament
MSI_000012027 Unavailable 682.4766 682.4766 ~ 682.4766
MzDiff: 0.0 ppm
PE(15:0/18:3(6Z,9Z,12Z)) (BioDeep_00000030150)
Formula: C38H70NO8P (699.4839)
-0.83 (100%) Bathymodiolus
[UBERON:2000211] gill lamella
MSI_000021491 Unreliable 682.4649 682.4649 ~ 682.4649
MzDiff: none
Not Annotated 0.88 (0%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000000164 Unreliable 682.4755 682.4755 ~ 682.4755
MzDiff: none
methyl 3-[(3s,3ar,4r,5ar,6s,7s,9ar,9br)-3-[(2s)-2-hydroxy-6-methyl-5-methylideneheptan-2-yl]-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydrocyclopenta[a]naphthalen-6-yl]propanoate (BioDeep_00002057811)
Formula: C38H64O9 (664.455)
1.85 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000165 Unreliable 682.4623 682.4623 ~ 682.4623
MzDiff: none
Enniatin A (BioDeep_00000178707)
Formula: C36H63N3O9 (681.4564)
1.85 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000166 Unreliable 682.4691 682.4691 ~ 682.4691
MzDiff: none
PE(15:0/18:3(6Z,9Z,12Z)) (BioDeep_00000030150)
Formula: C38H70NO8P (699.4839)
1.83 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000026139 Unreliable 682.4636 682.4636 ~ 682.4636
MzDiff: none
Not Annotated 1.87 (0%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000027192 Unreliable 682.4769 682.4769 ~ 682.4769
MzDiff: none
MMAE (BioDeep_00000181029)
Formula: C39H67N5O7 (717.504)
1.76 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000049739 Unreliable 682.4764 682.4764 ~ 682.4764
MzDiff: none
Enniatin A (BioDeep_00000178707)
Formula: C36H63N3O9 (681.4564)
1.61 (100%) Mytilus edulis
[UBERON:0009120] gill filament

Found 4 Sample Hits
Metabolite Species Sample
PE(15:0/18:3(6Z,9Z,12Z))

Formula: C38H70NO8P (699.4839)
Adducts: [M+H-H2O]+ (Ppm: 16.8)
Mus musculus (Urinary bladder)
HR2MSI_mouse_urinary_bladder - S096
Resolution: 10μm, 260x134

Description

Mass spectrometry imaging of phospholipids in mouse urinary bladder (imzML dataset)
The spatial distribution of phospholipids in a tissue section of mouse urinary bladder was analyzed by MALDI MS imaging at 10 micrometer pixel size with high mass resolution (using an LTQ Orbitrap mass spectrometer).

R, ö, mpp A, Guenther S, Schober Y, Schulz O, Takats Z, Kummer W, Spengler B, Histology by mass spectrometry: label-free tissue characterization obtained from high-accuracy bioanalytical imaging. Angew Chem Int Ed Engl, 49(22):3834-8(2010)

Fig. S2: Single ion images of compounds shown in Fig. 1A-B : (upper left to lower right) m/z = 743.5482 (unknown), m/z = 741.5307 (SM (16:0), [M+K]+), m/z = 798.5410 (PC (34:1), [M+K]+), m/z = 616.1767 (heme b, M+), m/z = 772.5253 (PC (32:0), [M+K]+).

Stability of determined mass values was in the range of +/- 1 ppm over 22 hours of measurement (Fig. S4), with a standard deviation of 0.56 ppm. Accuracy data were obtained during tissue scanning experiments by monitoring the mass signal at nominal mass 798. The internal lock mass function of the Orbitrap instrument was used for automatic calibration during imaging measurements, using the known matrix-related ion signals at m/z = 137.0233, m/z = 444.0925 and m/z = 716.1246.

m/z_682.4734

Formula: - (n/a)
Adducts: (Ppm: 0)
Mus musculus (Lung)
image1
Resolution: 40μm, 187x165

Description

Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. 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. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin. Fig 1-3, Fig S1-S3, S5

m/z_682.4649

Formula: - (n/a)
Adducts: (Ppm: 0)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

Enniatin A

Formula: C36H63N3O9 (681.4564)
Adducts: [M+H]+ (Ppm: 10.7)
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.