M/Z: 685.5196


Hit 3 annotations:  AS 1-1_[M]+; PA(18:1(11Z)/18:0)_[M+H-H2O]+; Trodusquemine_[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 7 Reference Ions Near m/z 685.5196
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043054 Reliable 685.5286 685.528 ~ 685.5289
MzDiff: 3.4 ppm
Trodusquemine (BioDeep_00000184592)
Formula: C37H72N4O5S (684.5223)
5.65 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000056951 Unreliable 685.5284 685.528 ~ 685.5288
MzDiff: 3.1 ppm
Trodusquemine (BioDeep_00000184592)
Formula: C37H72N4O5S (684.5223)
3.09 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000065403 Unreliable 685.5283 685.528 ~ 685.5285
MzDiff: 1.9 ppm
Trodusquemine (BioDeep_00000184592)
Formula: C37H72N4O5S (684.5223)
3.4 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000065727 Unreliable 685.5194 685.5193 ~ 685.5196
MzDiff: 1.0 ppm
PA(18:1(11Z)/18:0) (BioDeep_00000107257)
Formula: C39H75O8P (702.5199)
1.61 (67%) Homo sapiens
[UBERON:0001155] colon
MSI_000065722 Unreliable 685.526 685.526 ~ 685.526
MzDiff: none
Trodusquemine (BioDeep_00000184592)
Formula: C37H72N4O5S (684.5223)
1.66 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000050238 Unreliable 685.5276 685.5276 ~ 685.5276
MzDiff: none
Trodusquemine (BioDeep_00000184592)
Formula: C37H72N4O5S (684.5223)
0.31 (100%) Mytilus edulis
[UBERON:0009120] gill filament
MSI_000050543 Unreliable 685.5276 685.5276 ~ 685.5276
MzDiff: none
Trodusquemine (BioDeep_00000184592)
Formula: C37H72N4O5S (684.5223)
2.13 (100%) Mytilus edulis
[UBERON:2001856] gill ray

Found 12 Sample Hits
Metabolite Species Sample
AS 1-1

Formula: C38H71NO9 (685.5129)
Adducts: [M]+ (Ppm: 10.5)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PA(18:1(11Z)/18:0)

Formula: C39H75O8P (702.5199)
Adducts: [M+H-H2O]+ (Ppm: 0.3)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

PA(18:1(11Z)/18:0)

Formula: C39H75O8P (702.5199)
Adducts: [M+H-H2O]+ (Ppm: 0.1)
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.

m/z_685.521

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).

Trodusquemine

Formula: C37H72N4O5S (684.5223)
Adducts: [M+H]+ (Ppm: 11.5)
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).

PA(18:1(11Z)/18:0)

Formula: C39H75O8P (702.5199)
Adducts: [M+H-H2O]+ (Ppm: 3.9)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

AS 1-1

Formula: C38H71NO9 (685.5129)
Adducts: [M]+ (Ppm: 11.2)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PA(18:1(11Z)/18:0)

Formula: C39H75O8P (702.5199)
Adducts: [M+H-H2O]+ (Ppm: 4.2)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PA(18:1(11Z)/18:0)

Formula: C39H75O8P (702.5199)
Adducts: [M+H-H2O]+ (Ppm: 6.1)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

AS 1-1

Formula: C38H71NO9 (685.5129)
Adducts: [M]+ (Ppm: 10.6)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

Trodusquemine

Formula: C37H72N4O5S (684.5223)
Adducts: [M+H]+ (Ppm: 5.2)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

PA(18:1(11Z)/18:0)

Formula: C39H75O8P (702.5199)
Adducts: [M+H-H2O]+ (Ppm: 3.9)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description