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 26 Reference Ions Near m/z 399.2696
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000063239 Reliable 399.2695 399.2694 ~ 399.2696
MzDiff: 0.9 ppm
9-Octadecenoic acid (9Z)-, (2-hydroxy-2-oxido-1,2-oxaphospholan-4-yl)methyl ester (BioDeep_00000173806)
Formula: C22H41O5P (416.2691)
1.73 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000063176 Reliable 399.2782 399.2781 ~ 399.2783
MzDiff: 0.6 ppm
Polysorbate 60 (BioDeep_00000035259)
Formula: C22H42O8 (434.288)
0.61 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000007158 Unreliable 399.2703 399.2702 ~ 399.2705
MzDiff: 1.5 ppm
Polysorbate 60 (BioDeep_00000035259)
Formula: C22H42O8 (434.288)
4.08 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000061300 Unreliable 399.2712 399.2712 ~ 399.2714
MzDiff: 0.8 ppm
Polysorbate 60 (BioDeep_00000035259)
Formula: C22H42O8 (434.288)
1.91 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000058620 Unreliable 399.2785 399.2781 ~ 399.2789
MzDiff: 3.3 ppm
Flobetair (BioDeep_00000179085)
Formula: C20H25FN2O3 (360.1849)
1.19 (50%) Mus musculus
[UBERON:0001950] neocortex
MSI_000002494 Unreliable 399.2756 399.2756 ~ 399.2756
MzDiff: none
Polysorbate 60 (BioDeep_00000035259)
Formula: C22H42O8 (434.288)
0.87 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003177 Unreliable 399.2756 399.2756 ~ 399.2756
MzDiff: none
Polysorbate 60 (BioDeep_00000035259)
Formula: C22H42O8 (434.288)
1.37 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000004935 Unreliable 399.2756 399.2756 ~ 399.2756
MzDiff: none
Polysorbate 60 (BioDeep_00000035259)
Formula: C22H42O8 (434.288)
0.04 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000006037 Unavailable 399.2756 399.2756 ~ 399.2756
MzDiff: none
Polysorbate 60 (BioDeep_00000035259)
Formula: C22H42O8 (434.288)
-1.78 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000022328 Unreliable 399.2698 399.2698 ~ 399.2698
MzDiff: none
Polysorbate 60 (BioDeep_00000035259)
Formula: C22H42O8 (434.288)
1.76 (100%) Mus musculus
[UBERON:0004250] upper arm bone
MSI_000028661 Unreliable 399.2676 399.2676 ~ 399.2676
MzDiff: none
1-[2-(Benzhydryloxy)ethyl]piperidine-4-acetic acid ethyl ester (BioDeep_00000172650)
Formula: C24H31NO3 (381.2304)
0.65 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028697 Unreliable 399.2792 399.2792 ~ 399.2792
MzDiff: none
Lithocholic acid (BioDeep_00000003608)
Formula: C24H40O3 (376.2977)
0.57 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029366 Unreliable 399.2792 399.2792 ~ 399.2792
MzDiff: none
Lithocholic acid (BioDeep_00000003608)
Formula: C24H40O3 (376.2977)
1.15 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000029417 Unreliable 399.2676 399.2676 ~ 399.2676
MzDiff: none
1-[2-(Benzhydryloxy)ethyl]piperidine-4-acetic acid ethyl ester (BioDeep_00000172650)
Formula: C24H31NO3 (381.2304)
0.97 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000030978 Unreliable 399.2792 399.2792 ~ 399.2792
MzDiff: none
Lithocholic acid (BioDeep_00000003608)
Formula: C24H40O3 (376.2977)
0.39 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031021 Unreliable 399.2676 399.2676 ~ 399.2676
MzDiff: none
1-[2-(Benzhydryloxy)ethyl]piperidine-4-acetic acid ethyl ester (BioDeep_00000172650)
Formula: C24H31NO3 (381.2304)
0.26 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031991 Unavailable 399.2676 399.2676 ~ 399.2676
MzDiff: none
1-[2-(Benzhydryloxy)ethyl]piperidine-4-acetic acid ethyl ester (BioDeep_00000172650)
Formula: C24H31NO3 (381.2304)
-0.33 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000032041 Unavailable 399.2792 399.2792 ~ 399.2792
MzDiff: none
Lithocholic acid (BioDeep_00000003608)
Formula: C24H40O3 (376.2977)
-0.37 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000043997 Unreliable 399.2754 399.2754 ~ 399.2754
MzDiff: none
Polysorbate 60 (BioDeep_00000035259)
Formula: C22H42O8 (434.288)
2.03 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000057401 Unreliable 399.2795 399.2795 ~ 399.2795
MzDiff: none
Lithocholic acid (BioDeep_00000003608)
Formula: C24H40O3 (376.2977)
1.04 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000058486 Unreliable 399.2714 399.2714 ~ 399.2714
MzDiff: none
Polysorbate 60 (BioDeep_00000035259)
Formula: C22H42O8 (434.288)
0.69 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000059839 Unavailable 399.2706 399.2706 ~ 399.2706
MzDiff: none
Polysorbate 60 (BioDeep_00000035259)
Formula: C22H42O8 (434.288)
-0.63 (100%) Mus musculus
[UBERON:0002298] brainstem
MSI_000059992 Unavailable 399.2789 399.2789 ~ 399.2789
MzDiff: none
Flobetair (BioDeep_00000179085)
Formula: C20H25FN2O3 (360.1849)
-0.79 (100%) Mus musculus
[UBERON:0002298] brainstem
MSI_000060599 Unavailable 399.2789 399.2789 ~ 399.2789
MzDiff: none
Flobetair (BioDeep_00000179085)
Formula: C20H25FN2O3 (360.1849)
-0.34 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000060847 Unavailable 399.2706 399.2706 ~ 399.2706
MzDiff: none
Polysorbate 60 (BioDeep_00000035259)
Formula: C22H42O8 (434.288)
-0.52 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000064915 Unreliable 399.2695 399.2695 ~ 399.2695
MzDiff: none
9-Octadecenoic acid (9Z)-, (2-hydroxy-2-oxido-1,2-oxaphospholan-4-yl)methyl ester (BioDeep_00000173806)
Formula: C22H41O5P (416.2691)
0.31 (100%) Mus musculus
[UBERON:0001950] neocortex

Found 21 Sample Hits
Metabolite Species Sample
Polysorbate 60

Formula: C22H42O8 (434.288)
Adducts: [M+H-2H2O]+ (Ppm: 9.8)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_17
Resolution: 17μm, 208x108

Description

1 male adult wild-type rat was obtained from Inserm U1085 - Irset Research Institute (University of Rennes1, France). Animals were age 60 days and were reared under ad-lib conditions. Care and handling of all animals complied with EU directive 2010/63/EU on the protection of animals used for scientific purposes. The whole epididymis was excised from each animal immediately post-mortem, loosely wrapped rapidly in an aluminum foil and a 2.5% (w/v) carboxymethylcellulose (CMC) solution was poured to embed the epididymis to preserve their morphology. To remove air bubbles, the filled aluminum molds was gently freezed by depositing it on isopentane or dry ice, then on the nitrogen vapors and finally by progressively dipping the CMC/sample coated with aluminum foil into liquid nitrogen (or only flush with liquid nitrogen). Frozen tissues were stored at -80 °C until use to avoid degradation.

Polysorbate 60

Formula: C22H42O8 (434.288)
Adducts: [M+H-2H2O]+ (Ppm: 10.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

Polysorbate 60

Formula: C22H42O8 (434.288)
Adducts: [M+H-2H2O]+ (Ppm: 7.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

Polysorbate 60

Formula: C22H42O8 (434.288)
Adducts: [M+H-2H2O]+ (Ppm: 7.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

Polysorbate 60

Formula: C22H42O8 (434.288)
Adducts: [M+H-2H2O]+ (Ppm: 9.8)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

Polysorbate 60

Formula: C22H42O8 (434.288)
Adducts: [M+H-2H2O]+ (Ppm: 7.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

Polysorbate 60

Formula: C22H42O8 (434.288)
Adducts: [M+H-2H2O]+ (Ppm: 9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

Polysorbate 60

Formula: C22H42O8 (434.288)
Adducts: [M+H-2H2O]+ (Ppm: 11.3)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

Polysorbate 60

Formula: C22H42O8 (434.288)
Adducts: [M+H-2H2O]+ (Ppm: 9.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

Polysorbate 60

Formula: C22H42O8 (434.288)
Adducts: [M+H-2H2O]+ (Ppm: 11)
Rattus norvegicus (normal)
epik_dhb_head_ito01_05
Resolution: 17μm, 183x105

Description

Polysorbate 60

Formula: C22H42O8 (434.288)
Adducts: [M+H-2H2O]+ (Ppm: 7.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

Polysorbate 60

Formula: C22H42O8 (434.288)
Adducts: [M+H-2H2O]+ (Ppm: 8.8)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_14
Resolution: 17μm, 205x103

Description

Polysorbate 60

Formula: C22H42O8 (434.288)
Adducts: [M+H-2H2O]+ (Ppm: 10.8)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

1-[2-(Benzhydryloxy)ethyl]piperidine-4-acetic acid ethyl ester

Formula: C24H31NO3 (381.2304)
Adducts: [M+NH4]+ (Ppm: 8.5)
Macropus giganteus (Brain)
170321_kangaroobrain-dan3-pos_maxof50.0_med1
Resolution: 50μm, 81x50

Description

Sample information Organism: Macropus giganteus (kangaroo) Organism part: Brain Condition: Wildtype Sample growth conditions: Wild

Polysorbate 60

Formula: C22H42O8 (434.288)
Adducts: [M+H-2H2O]+ (Ppm: 11)
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.

Polysorbate 60

Formula: C22H42O8 (434.288)
Adducts: [M+H-2H2O]+ (Ppm: 8.8)
Mus musculus (brain)
Brain01_Bregma-3-88b_centroid
Resolution: 17μm, 265x320

Description

Polysorbate 60

Formula: C22H42O8 (434.288)
Adducts: [M+H-2H2O]+ (Ppm: 6.8)
Mus musculus (brain)
Brain01_Bregma1-42_02_centroid
Resolution: 17μm, 434x258

Description

Polysorbate 60

Formula: C22H42O8 (434.288)
Adducts: [M+H-2H2O]+ (Ppm: 7.3)
Mus musculus (brain)
Brain01_Bregma1-42_01_centroid
Resolution: 17μm, 447x118

Description

9-Octadecenoic acid (9Z)-, (2-hydroxy-2-oxido-1,2-oxaphospholan-4-yl)methyl ester

Formula: C22H41O5P (416.2691)
Adducts: [M+H-H2O]+ (Ppm: 9.4)
Mus musculus (brain)
Brain02_Bregma1-42_03
Resolution: 17μm, 483x403

Description

9-Octadecenoic acid (9Z)-, (2-hydroxy-2-oxido-1,2-oxaphospholan-4-yl)methyl ester

Formula: C22H41O5P (416.2691)
Adducts: [M+H-H2O]+ (Ppm: 8.9)
Mus musculus (brain)
Brain02_Bregma-3-88
Resolution: 17μm, 288x282

Description

9-Octadecenoic acid (9Z)-, (2-hydroxy-2-oxido-1,2-oxaphospholan-4-yl)methyl ester

Formula: C22H41O5P (416.2691)
Adducts: [M+H-H2O]+ (Ppm: 9.1)
Mus musculus (brain)
Brain02_Bregma-1-46
Resolution: 17μm, 294x399

Description