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 5 Reference Ions Near m/z 787.5737
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000046282 Reliable 787.566 787.566 ~ 787.566
MzDiff: none
PS(18:1(9Z)/18:1(9Z)) (BioDeep_00000032610)
Formula: C42H78NO10P (787.5363)
5.35 (100%) Mus musculus
[UBERON:0002107] liver
MSI_000021242 Reliable 787.5803 787.58 ~ 787.5809
MzDiff: 3.8 ppm
PA(19:2(10Z,13Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000189554)
Formula: C42H69O9P (748.4679)
5.95 (57%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000020481 Unreliable 787.5737 787.5735 ~ 787.5739
MzDiff: 1.5 ppm
SM(d17:1/PGF2alpha) (BioDeep_00000215358)
Formula: C42H79N2O9P (786.5523)
4.59 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000007371 Unreliable 787.5795 787.5795 ~ 787.5795
MzDiff: none
SM(d19:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000215693)
Formula: C46H81N2O7P (804.5781)
3.12 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000044903 Unavailable 787.572 787.572 ~ 787.572
MzDiff: none
SM(d19:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000215637)
Formula: C46H83N2O8P (822.5887)
-0.52 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb

Found 13 Sample Hits
Metabolite Species Sample
PA(19:2(10Z,13Z)/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C42H69O9P (748.4679)
Adducts: [M+K]+ (Ppm: 18.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_17
Resolution: 17μm, 208x108

Description

1 male adult wild-type rat was obtained from Inserm U1085 - Irset Research Institute (University of Rennes1, France). Animals were age 60 days and were reared under ad-lib conditions. Care and handling of all animals complied with EU directive 2010/63/EU on the protection of animals used for scientific purposes. The whole epididymis was excised from each animal immediately post-mortem, loosely wrapped rapidly in an aluminum foil and a 2.5% (w/v) carboxymethylcellulose (CMC) solution was poured to embed the epididymis to preserve their morphology. To remove air bubbles, the filled aluminum molds was gently freezed by depositing it on isopentane or dry ice, then on the nitrogen vapors and finally by progressively dipping the CMC/sample coated with aluminum foil into liquid nitrogen (or only flush with liquid nitrogen). Frozen tissues were stored at -80 °C until use to avoid degradation.

SM(d17:1/PGF2alpha)

Formula: C42H79N2O9P (786.5523)
Adducts: [M+H]+ (Ppm: 18.6)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

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

Formula: C47H81O8P (804.5669)
Adducts: [M+H-H2O]+ (Ppm: 18.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

SM(d17:1/PGF2alpha)

Formula: C42H79N2O9P (786.5523)
Adducts: [M+H]+ (Ppm: 18.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

SM(d17:1/PGF2alpha)

Formula: C42H79N2O9P (786.5523)
Adducts: [M+H]+ (Ppm: 17.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

SM(d17:1/PGF2alpha)

Formula: C42H79N2O9P (786.5523)
Adducts: [M+H]+ (Ppm: 17.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

SM(d17:1/PGF2alpha)

Formula: C42H79N2O9P (786.5523)
Adducts: [M+H]+ (Ppm: 18.3)
Rattus norvegicus (normal)
epik_dhb_head_ito01_05
Resolution: 17μm, 183x105

Description

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

Formula: C47H81O8P (804.5669)
Adducts: [M+H-H2O]+ (Ppm: 19.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

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

Formula: C47H81O8P (804.5669)
Adducts: [M+H-H2O]+ (Ppm: 19.6)
Mus musculus (Lung)
image2
Resolution: 40μm, 550x256

Description

Supplementary Figure S6. Ion distribution images for (a) [PC36:4+Na]+ (m/z 804.5514) and (b) [PC38:6+Na]+ (m/z 828.5515) obtained from mouse lung tissue collected 6 h after administration of D9- choline and U13C-DPPC–containing CHF5633. Parts-per-million (ppm) mass errors are indicated in parentheses. (c) Magnification of the boxed region in (a) with selected bronchiolar regions outlined in white boxes. (d) The corresponding H&E-stained tissue section with the same selected bronchiolar regions outlined in black boxes. These data demonstrate the co-localisation of the polyunsaturated lipids PC36:4 and PC38:6 with the bronchiolar regions of the lung. All MSI images were visualised using total ion current normalisation and hotspot removal (high quantile = 99%).

PS(18:1(9Z)/18:1(9Z))

Formula: C42H78NO10P (787.5363)
Adducts: [M-H2O+NH4]+ (Ppm: 17.7)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

PS(18:1(9Z)/18:1(9Z))

Formula: C42H78NO10P (787.5363)
Adducts: [M-H2O+NH4]+ (Ppm: 8.2)
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.

SM(d18:0/20:3(8Z,11Z,14Z)-2OH(5,6))

Formula: C43H83N2O8P (786.5887)
Adducts: [M+H]+ (Ppm: 19.6)
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.

PS(18:1(9Z)/18:1(9Z))

Formula: C42H78NO10P (787.5363)
Adducts: [M-H2O+NH4]+ (Ppm: 14.6)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description