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 8 Reference Ions Near m/z 328.2362
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043051 Reliable 328.2372 328.2371 ~ 328.2373
MzDiff: 0.8 ppm
Docosahexaenoic acid (BioDeep_00000002670)
Formula: C22H32O2 (328.2402)
5.5 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065150 Reliable 328.2362 328.2361 ~ 328.2364
MzDiff: 1.5 ppm
Docosahexaenoic acid (BioDeep_00000002670)
Formula: C22H32O2 (328.2402)
5.52 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000047318 Unreliable 328.2361 328.2361 ~ 328.2361
MzDiff: none
N-Palmitoyltaurine (BioDeep_00000169932)
Formula: C18H37NO4S (363.2443)
2.4 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047484 Unreliable 328.2426 328.2426 ~ 328.2426
MzDiff: none
(9E)-9-nitrooctadecenoic Acid (BioDeep_00000018380)
Formula: C18H33NO4 (327.2409)
2.27 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052203 Unreliable 328.2407 328.2407 ~ 328.2407
MzDiff: none
Docosahexaenoic acid (BioDeep_00000002670)
Formula: C22H32O2 (328.2402)
2.27 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052206 Unreliable 328.2331 328.2331 ~ 328.2331
MzDiff: none
Butorphanol (BioDeep_00000001917)
Formula: C21H29NO2 (327.2198)
2.27 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000056709 Unreliable 328.2354 328.2354 ~ 328.2355
MzDiff: 0.5 ppm
N-Palmitoyltaurine (BioDeep_00000169932)
Formula: C18H37NO4S (363.2443)
2.94 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000056379 Unavailable 328.2373 328.2373 ~ 328.2373
MzDiff: none
Docosahexaenoic acid (BioDeep_00000002670)
Formula: C22H32O2 (328.2402)
-1.07 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 38 Sample Hits
Metabolite Species Sample
Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 8.4)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

N-Palmitoyltaurine

Formula: C18H37NO4S (363.2443)
Adducts: [M+H-2H2O]+ (Ppm: 15)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 10.3)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 11.2)
Homo sapiens (esophagus)
TO42T
Resolution: 17μm, 69x81

Description

N-Palmitoyltaurine

Formula: C18H37NO4S (363.2443)
Adducts: [M+H-2H2O]+ (Ppm: 7.4)
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.

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 7.2)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 10.3)
Homo sapiens (esophagus)
LNTO30_8M_1
Resolution: 17μm, 69x54

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 10.9)
Homo sapiens (esophagus)
TO39T
Resolution: 17μm, 69x81

Description

N-Palmitoyltaurine

Formula: C18H37NO4S (363.2443)
Adducts: [M+H-2H2O]+ (Ppm: 17.2)
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-Palmitoyltaurine

Formula: C18H37NO4S (363.2443)
Adducts: [M+H-2H2O]+ (Ppm: 14.1)
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).

Butorphanol

Formula: C21H29NO2 (327.2198)
Adducts: [M+H]+ (Ppm: 18.3)
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-Palmitoyltaurine

Formula: C18H37NO4S (363.2443)
Adducts: [M+H-2H2O]+ (Ppm: 6.2)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 10.6)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 8.4)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 7.2)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 8.7)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 12.7)
Homo sapiens (esophagus)
TO40T
Resolution: 17μm, 82x74

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 10.6)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 8.4)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 10.3)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 10)
Homo sapiens (esophagus)
LNTO30_8M_2
Resolution: 75μm, 108x68

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 10)
Homo sapiens (esophagus)
LNTO30_8M_3
Resolution: 75μm, 69x54

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 9.3)
Homo sapiens (esophagus)
LNTO30_8M_4
Resolution: 75μm, 62x48

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 9.7)
Homo sapiens (esophagus)
LNTO30_8M_5
Resolution: 75μm, 56x54

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 10)
Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 7.8)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 8.4)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 8.7)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 8.7)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 7.8)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 8.4)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 10.3)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 10)
Homo sapiens (esophagus)
LNTO30_7_1
Resolution: 75μm, 69x68

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 10)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 10.9)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 10)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 10.9)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

Docosahexaenoic acid

Formula: C22H32O2 (328.2402)
Adducts: [M]+ (Ppm: 10.3)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description