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 15 Reference Ions Near m/z 206.0066
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000052690 Reliable 206.0066 206.0062 ~ 206.007
MzDiff: 3.1 ppm
N-Chloro-p-toluenesulfonamide (BioDeep_00000181257)
Formula: C7H8ClNO2S (204.9964)
13.89 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000040631 Reliable 205.9973 205.9972 ~ 205.9977
MzDiff: 1.9 ppm
Etidronic acid (BioDeep_00000003376)
Formula: C2H8O7P2 (205.9745)
2.72 (100%) Posidonia oceanica
[PO:0006036] root epidermis
MSI_000063448 Unreliable 205.9973 205.9973 ~ 205.9973
MzDiff: 0.0 ppm
Etidronic acid (BioDeep_00000003376)
Formula: C2H8O7P2 (205.9745)
2.19 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000001209 Unavailable 205.9969 205.9969 ~ 205.9969
MzDiff: none
Etidronic acid (BioDeep_00000003376)
Formula: C2H8O7P2 (205.9745)
-0.48 (100%) Mus musculus
[UBERON:0001224] renal pelvis
MSI_000001677 Unavailable 205.9969 205.9969 ~ 205.9969
MzDiff: none
Etidronic acid (BioDeep_00000003376)
Formula: C2H8O7P2 (205.9745)
-0.5 (100%) Mus musculus
[UBERON:0001225] cortex of kidney
MSI_000002146 Unavailable 205.9969 205.9969 ~ 205.9969
MzDiff: none
Etidronic acid (BioDeep_00000003376)
Formula: C2H8O7P2 (205.9745)
-0.5 (100%) Mus musculus
[UBERON:0001293] outer medulla of kidney
MSI_000032874 Unreliable 205.9973 205.9973 ~ 205.9973
MzDiff: none
Etidronic acid (BioDeep_00000003376)
Formula: C2H8O7P2 (205.9745)
0.05 (100%) Posidonia oceanica
[PO:0005020] vascular bundle
MSI_000033605 Unreliable 205.9973 205.9973 ~ 205.9973
MzDiff: none
Etidronic acid (BioDeep_00000003376)
Formula: C2H8O7P2 (205.9745)
1.43 (100%) Posidonia oceanica
[PO:0005352] xylem
MSI_000035320 Unreliable 205.9973 205.9973 ~ 205.9973
MzDiff: none
Etidronic acid (BioDeep_00000003376)
Formula: C2H8O7P2 (205.9745)
0.53 (100%) Posidonia oceanica
[PO:0006203] pericycle
MSI_000040576 Unavailable 205.9973 205.9973 ~ 205.9973
MzDiff: none
Etidronic acid (BioDeep_00000003376)
Formula: C2H8O7P2 (205.9745)
-0.26 (100%) Posidonia oceanica
[PO:0005417] phloem
MSI_000064861 Unreliable 205.9973 205.9973 ~ 205.9973
MzDiff: none
Etidronic acid (BioDeep_00000003376)
Formula: C2H8O7P2 (205.9745)
1.9 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000012824 Unavailable 205.9981 205.9981 ~ 205.9981
MzDiff: none
Etidronic acid (BioDeep_00000003376)
Formula: C2H8O7P2 (205.9745)
-0.48 (100%) Plant
[PO:0005020] vascular bundle
MSI_000013770 Unreliable 205.9981 205.9981 ~ 205.9981
MzDiff: none
Etidronic acid (BioDeep_00000003376)
Formula: C2H8O7P2 (205.9745)
0.17 (100%) Plant
[PO:0005417] phloem
MSI_000018649 Unreliable 205.9981 205.9981 ~ 205.9981
MzDiff: none
Etidronic acid (BioDeep_00000003376)
Formula: C2H8O7P2 (205.9745)
1.67 (100%) Plant
[PO:0020124] root stele
MSI_000063037 Unreliable 205.9984 205.9984 ~ 205.9984
MzDiff: none
Etidronic acid (BioDeep_00000003376)
Formula: C2H8O7P2 (205.9745)
1.99 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 22 Sample Hits
Metabolite Species Sample
N-Chloro-p-toluenesulfonamide

Formula: C7H8ClNO2S (204.9964)
Adducts: [M+H]+ (Ppm: 12.1)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

N-Chloro-p-toluenesulfonamide

Formula: C7H8ClNO2S (204.9964)
Adducts: [M+H]+ (Ppm: 15)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

N-Chloro-p-toluenesulfonamide

Formula: C7H8ClNO2S (204.9964)
Adducts: [M+H]+ (Ppm: 15.5)
Homo sapiens (esophagus)
TO42T
Resolution: 17μm, 69x81

Description

N-Chloro-p-toluenesulfonamide

Formula: C7H8ClNO2S (204.9964)
Adducts: [M+H]+ (Ppm: 17.5)
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.

N-Chloro-p-toluenesulfonamide

Formula: C7H8ClNO2S (204.9964)
Adducts: [M+H]+ (Ppm: 5.4)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

N-Chloro-p-toluenesulfonamide

Formula: C7H8ClNO2S (204.9964)
Adducts: [M+H]+ (Ppm: 14.1)
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).

N-Chloro-p-toluenesulfonamide

Formula: C7H8ClNO2S (204.9964)
Adducts: [M+H]+ (Ppm: 16.5)
Homo sapiens (colorectal adenocarcinoma)
520TopL, 490TopR, 510BottomL, 500BottomR-profile
Resolution: 17μm, 147x131

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).

N-Chloro-p-toluenesulfonamide

Formula: C7H8ClNO2S (204.9964)
Adducts: [M+H]+ (Ppm: 15.5)
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).

N-Chloro-p-toluenesulfonamide

Formula: C7H8ClNO2S (204.9964)
Adducts: [M+H]+ (Ppm: 15)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

N-Chloro-p-toluenesulfonamide

Formula: C7H8ClNO2S (204.9964)
Adducts: [M+H]+ (Ppm: 14.1)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

N-Chloro-p-toluenesulfonamide

Formula: C7H8ClNO2S (204.9964)
Adducts: [M+H]+ (Ppm: 13.1)
Homo sapiens (esophagus)
TO40T
Resolution: 17μm, 82x74

Description

N-Chloro-p-toluenesulfonamide

Formula: C7H8ClNO2S (204.9964)
Adducts: [M+H]+ (Ppm: 13.6)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

N-Chloro-p-toluenesulfonamide

Formula: C7H8ClNO2S (204.9964)
Adducts: [M+H]+ (Ppm: 15)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

N-Chloro-p-toluenesulfonamide

Formula: C7H8ClNO2S (204.9964)
Adducts: [M+H]+ (Ppm: 14.6)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

N-Chloro-p-toluenesulfonamide

Formula: C7H8ClNO2S (204.9964)
Adducts: [M+H]+ (Ppm: 16)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

Etidronic acid

Formula: C2H8O7P2 (205.9745)
Adducts: [M-H2O+NH4]+ (Ppm: 2.4)
Mus musculus (brain)
Brain02_Bregma1-42_03
Resolution: 17μm, 483x403

Description

Etidronic acid

Formula: C2H8O7P2 (205.9745)
Adducts: [M-H2O+NH4]+ (Ppm: 2.4)
Mus musculus (brain)
Brain02_Bregma-3-88
Resolution: 17μm, 288x282

Description

Etidronic acid

Formula: C2H8O7P2 (205.9745)
Adducts: [M-H2O+NH4]+ (Ppm: 2.4)
Mus musculus (brain)
Brain02_Bregma-1-46
Resolution: 17μm, 294x399

Description

N-Chloro-p-toluenesulfonamide

Formula: C7H8ClNO2S (204.9964)
Adducts: [M+H]+ (Ppm: 15)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

N-Chloro-p-toluenesulfonamide

Formula: C7H8ClNO2S (204.9964)
Adducts: [M+H]+ (Ppm: 16.5)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

N-Chloro-p-toluenesulfonamide

Formula: C7H8ClNO2S (204.9964)
Adducts: [M+H]+ (Ppm: 15.5)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

N-Chloro-p-toluenesulfonamide

Formula: C7H8ClNO2S (204.9964)
Adducts: [M+H]+ (Ppm: 16)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description