M/Z: 868.5208


Hit 2 annotations:  alpha-Solanine_[M+H]+; PS(DiMe(11,3)/DiMe(11,3))_[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 6 Reference Ions Near m/z 868.5208
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000058107 Reliable 868.5235 868.5233 ~ 868.5237
MzDiff: 1.8 ppm
PS(DiMe(11,3)/DiMe(11,3)) (BioDeep_00000054703)
Formula: C46H78NO12P (867.5261)
7.64 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000047626 Unreliable 868.5179 868.5179 ~ 868.5179
MzDiff: none
alpha-Solanine (BioDeep_00000002014)
Formula: C45H73NO15 (867.498)
2.21 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052534 Unreliable 868.511 868.511 ~ 868.511
MzDiff: none
alpha-Solanine (BioDeep_00000002014)
Formula: C45H73NO15 (867.498)
1.76 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000065446 Unreliable 868.5215 868.5214 ~ 868.5216
MzDiff: 0.8 ppm
alpha-Solanine (BioDeep_00000002014)
Formula: C45H73NO15 (867.498)
2.71 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000043870 Unreliable 868.5208 868.5208 ~ 868.5208
MzDiff: none
alpha-Solanine (BioDeep_00000002014)
Formula: C45H73NO15 (867.498)
1.22 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000044174 Unreliable 868.5249 868.5249 ~ 868.5249
MzDiff: none
PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (BioDeep_00000018553)
Formula: C50H77O10P (868.5254)
0.84 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb

Found 18 Sample Hits
Metabolite Species Sample
alpha-Solanine

Formula: C45H73NO15 (867.498)
Adducts: [M+H]+ (Ppm: 14.8)
Mus musculus (Lung)
image5
Resolution: 40μm, 163x183

Description

Supplementary Figure S8. MALDI-MSI data of mouse lung tissue administered with D9-choline and U 13C-DPPC–containing Poractant alfa surfactant (labels administered 18 h prior to sacrifice). 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-DPPC+Na]+ (red) and [D9-PC32:0+Na]+ (green). Parts per million (ppm) mass errors are indicated in parentheses. All images were visualised using totalion-current normalisation and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0.

PS(DiMe(11,3)/DiMe(11,3))

Formula: C46H78NO12P (867.5261)
Adducts: [M+H]+ (Ppm: 11.4)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

alpha-Solanine

Formula: C45H73NO15 (867.498)
Adducts: [M+H]+ (Ppm: 16.5)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

alpha-Solanine

Formula: C45H73NO15 (867.498)
Adducts: [M+H]+ (Ppm: 17.9)
Homo sapiens (esophagus)
TO42T
Resolution: 17μm, 69x81

Description

PS(DiMe(11,3)/DiMe(11,3))

Formula: C46H78NO12P (867.5261)
Adducts: [M+H]+ (Ppm: 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.

alpha-Solanine

Formula: C45H73NO15 (867.498)
Adducts: [M+H]+ (Ppm: 14.5)
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).

alpha-Solanine

Formula: C45H73NO15 (867.498)
Adducts: [M+H]+ (Ppm: 19.5)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

PS(DiMe(11,3)/DiMe(11,3))

Formula: C46H78NO12P (867.5261)
Adducts: [M+H]+ (Ppm: 11.2)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PS(DiMe(11,3)/DiMe(11,3))

Formula: C46H78NO12P (867.5261)
Adducts: [M+H]+ (Ppm: 11.2)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PS(DiMe(11,3)/DiMe(11,3))

Formula: C46H78NO12P (867.5261)
Adducts: [M+H]+ (Ppm: 11.6)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PS(DiMe(11,3)/DiMe(11,3))

Formula: C46H78NO12P (867.5261)
Adducts: [M+H]+ (Ppm: 11.5)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PS(DiMe(11,3)/DiMe(11,3))

Formula: C46H78NO12P (867.5261)
Adducts: [M+H]+ (Ppm: 10.6)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

PS(DiMe(11,3)/DiMe(11,3))

Formula: C46H78NO12P (867.5261)
Adducts: [M+H]+ (Ppm: 11.6)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

alpha-Solanine

Formula: C45H73NO15 (867.498)
Adducts: [M+H]+ (Ppm: 18.9)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

alpha-Solanine

Formula: C45H73NO15 (867.498)
Adducts: [M+H]+ (Ppm: 18.8)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

alpha-Solanine

Formula: C45H73NO15 (867.498)
Adducts: [M+H]+ (Ppm: 19.4)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

alpha-Solanine

Formula: C45H73NO15 (867.498)
Adducts: [M+H]+ (Ppm: 18.6)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

alpha-Solanine

Formula: C45H73NO15 (867.498)
Adducts: [M+H]+ (Ppm: 19.4)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description