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 9 Reference Ions Near m/z 528.2727
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043408 Reliable 528.2744 528.274 ~ 528.2747
MzDiff: 2.8 ppm
Ret-P-man (BioDeep_00000182903)
Formula: C26H41O9P (528.2488)
9.94 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043759 Unreliable 528.2745 528.2741 ~ 528.2747
MzDiff: 2.6 ppm
Ret-P-man (BioDeep_00000182903)
Formula: C26H41O9P (528.2488)
3.86 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000056866 Unreliable 528.2731 528.2731 ~ 528.2733
MzDiff: 0.9 ppm
Ret-P-man (BioDeep_00000182903)
Formula: C26H41O9P (528.2488)
1.05 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000051639 Unreliable 528.2715 528.2715 ~ 528.2715
MzDiff: none
ent-6R,16bOH,17-Trihydroxy-7-oxo-6,7-seco-19,6-kauranolide 6-O-glucoside (BioDeep_00000019931)
Formula: C26H40O11 (528.257)
3.13 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000051640 Unreliable 528.2807 528.2807 ~ 528.2807
MzDiff: none
Fosinopril (BioDeep_00000002441)
Formula: C30H46NO7P (563.3012)
3.13 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000051648 Unreliable 528.2654 528.2654 ~ 528.2654
MzDiff: none
homoharringtonine (BioDeep_00000179803)
Formula: C29H39NO9 (545.2625)
2.95 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000065441 Unreliable 528.2728 528.2727 ~ 528.2728
MzDiff: 0.5 ppm
Ret-P-man (BioDeep_00000182903)
Formula: C26H41O9P (528.2488)
2.64 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000056756 Unreliable 528.2718 528.2717 ~ 528.2719
MzDiff: 0.9 ppm
ent-6R,16bOH,17-Trihydroxy-7-oxo-6,7-seco-19,6-kauranolide 6-O-glucoside (BioDeep_00000019931)
Formula: C26H40O11 (528.257)
2.79 (50%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000056019 Unavailable 528.2747 528.2747 ~ 528.2747
MzDiff: none
Ret-P-man (BioDeep_00000182903)
Formula: C26H41O9P (528.2488)
-0.5 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 37 Sample Hits
Metabolite Species Sample
ent-6R,16bOH,17-Trihydroxy-7-oxo-6,7-seco-19,6-kauranolide 6-O-glucoside

Formula: C26H40O11 (528.257)
Adducts: [M-H2O+NH4]+ (Ppm: 16.3)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 2.3)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 0.6)
Homo sapiens (esophagus)
TO42T
Resolution: 17μm, 69x81

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 5)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

Fosinopril

Formula: C30H46NO7P (563.3012)
Adducts: [M+H-2H2O]+ (Ppm: 14.2)
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.

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 2)
Homo sapiens (esophagus)
LNTO30_8M_1
Resolution: 17μm, 69x54

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 1.6)
Homo sapiens (esophagus)
TO39T
Resolution: 17μm, 69x81

Description

4-(Cyclohexyloxy)-2-(1-(4-[(4-methoxybenzene)sulfonyl]piperazin-1-yl)ethyl)quinazoline

Formula: C27H34N4O4S (510.2301)
Adducts: [M+NH4]+ (Ppm: 14)
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).

ent-6R,16bOH,17-Trihydroxy-7-oxo-6,7-seco-19,6-kauranolide 6-O-glucoside

Formula: C26H40O11 (528.257)
Adducts: [M-H2O+NH4]+ (Ppm: 16.7)
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).

Fosinopril

Formula: C30H46NO7P (563.3012)
Adducts: [M+H-2H2O]+ (Ppm: 18.4)
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).

ent-6R,16bOH,17-Trihydroxy-7-oxo-6,7-seco-19,6-kauranolide 6-O-glucoside

Formula: C26H40O11 (528.257)
Adducts: [M-H2O+NH4]+ (Ppm: 16.7)
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).

4-(Cyclohexyloxy)-2-(1-(4-[(4-methoxybenzene)sulfonyl]piperazin-1-yl)ethyl)quinazoline

Formula: C27H34N4O4S (510.2301)
Adducts: [M+NH4]+ (Ppm: 12.1)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 2)
Homo sapiens (esophagus)
LNTO29_16_3
Resolution: 17μm, 108x107

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 3.8)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 5)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 3.5)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 0.3)
Homo sapiens (esophagus)
TO40T
Resolution: 17μm, 82x74

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 1.8)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 3.7)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 2)
Homo sapiens (esophagus)
TO41T
Resolution: 75μm, 69x43

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 2.3)
Homo sapiens (esophagus)
LNTO30_8M_2
Resolution: 75μm, 108x68

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 2.3)
Homo sapiens (esophagus)
LNTO30_8M_3
Resolution: 75μm, 69x54

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 2.7)
Homo sapiens (esophagus)
LNTO30_8M_4
Resolution: 75μm, 62x48

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 2.7)
Homo sapiens (esophagus)
LNTO30_8M_5
Resolution: 75μm, 56x54

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 4.4)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 4)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 3.5)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 3.5)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 4.4)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 3.7)
Homo sapiens (esophagus)
LNTO26_16_1
Resolution: 75μm, 95x88

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 2)
Homo sapiens (esophagus)
LNTO29_18_2
Resolution: 75μm, 62x68

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 2.5)
Homo sapiens (esophagus)
LNTO30_7_1
Resolution: 75μm, 69x68

Description

4-(Cyclohexyloxy)-2-(1-(4-[(4-methoxybenzene)sulfonyl]piperazin-1-yl)ethyl)quinazoline

Formula: C27H34N4O4S (510.2301)
Adducts: [M+NH4]+ (Ppm: 17.6)
Homo sapiens (esophagus)
LNTO30_7_2
Resolution: 75μm, 82x68

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 1.4)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 2.3)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

Ret-P-man

Formula: C26H41O9P (528.2488)
Adducts: [M-H2O+NH4]+ (Ppm: 1.2)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

ent-6R,16bOH,17-Trihydroxy-7-oxo-6,7-seco-19,6-kauranolide 6-O-glucoside

Formula: C26H40O11 (528.257)
Adducts: [M-H2O+NH4]+ (Ppm: 13.6)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description