M/Z: 421.3076
Hit 5 annotations: N-Eicosapentaenoyl Threonine_[M+NH4]+
; N6-[2-[5-(Diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine_[M-H2O+NH4]+
; Calcium dodecanoate_[M+H-H2O]+
; 1-Piperidinyloxy, 4-(((dodecyloxy)hydroxyphosphinyl)oxy)-2,2,6,6-tetramethyl-_[M+H]+
; Farnesiferol A_[M+K]+
- 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 421.3076
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000057763 Reliable | 421.3115 | 421.3112 ~ 421.312 MzDiff: 3.2 ppm |
Farnesiferol A (BioDeep_00000018316) Formula: C24H30O4 (382.2144) |
4.03 (66%) | DESI [NOVOCELL:BACKGROUND] blank |
MSI_000043799 Unreliable | 421.3106 | 421.3101 ~ 421.3109 MzDiff: 3.3 ppm |
N-Eicosapentaenoyl Threonine (BioDeep_00000171359) Formula: C24H37NO4 (403.2722) |
4.89 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000047129 Unreliable | 421.3116 | 421.3116 ~ 421.3116 MzDiff: none |
N6-[2-[5-(Diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine (BioDeep_00000181814) Formula: C24H35N7 (421.2954) |
2.75 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000047166 Unreliable | 421.3174 | 421.3174 ~ 421.3174 MzDiff: none |
Citranaxanthin (BioDeep_00000025440) Formula: C33H44O (456.3392) |
2.65 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000047218 Unreliable | 421.3058 | 421.3058 ~ 421.3058 MzDiff: none |
Calcium dodecanoate (BioDeep_00000228154) Formula: C24H46CaO4 (438.3022) |
2.54 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000065457 Unreliable | 421.3109 | 421.3109 ~ 421.311 MzDiff: 0.3 ppm |
N6-[2-[5-(Diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine (BioDeep_00000181814) Formula: C24H35N7 (421.2954) |
2.09 (67%) | Homo sapiens [UBERON:0001155] colon |
MSI_000058346 Unreliable | 421.3105 | 421.3101 ~ 421.311 MzDiff: 3.7 ppm |
N-Eicosapentaenoyl Threonine (BioDeep_00000171359) Formula: C24H37NO4 (403.2722) |
0.99 (100%) | Homo sapiens [UBERON:0007779] transudate |
MSI_000055819 Unreliable | 421.3124 | 421.3124 ~ 421.3124 MzDiff: none |
Farnesiferol A (BioDeep_00000018316) Formula: C24H30O4 (382.2144) |
0.01 (100%) | Homo sapiens [UBERON:0007779] transudate |
Found 17 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
N-Eicosapentaenoyl Threonine Formula: C24H37NO4 (403.2722) Adducts: [M+NH4]+ (Ppm: 12.9) |
Homo sapiens (esophagus) |
LNTO29_16_2Resolution: 17μm, 95x101
|
|
N-Eicosapentaenoyl Threonine Formula: C24H37NO4 (403.2722) Adducts: [M+NH4]+ (Ppm: 3.4) |
Mus musculus (Liver) |
Salmonella_final_pos_recalResolution: 17μm, 691x430
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. |
|
N6-[2-[5-(Diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine Formula: C24H35N7 (421.2954) Adducts: [M-H2O+NH4]+ (Ppm: 17.4) |
Homo sapiens (esophagus) |
LNTO30_8M_1Resolution: 17μm, 69x54
|
|
Calcium dodecanoate Formula: C24H46CaO4 (438.3022) Adducts: [M+H-H2O]+ (Ppm: 16.4) |
Homo sapiens (colorectal adenocarcinoma) |
80TopL, 50TopR, 70BottomL, 60BottomR-profileResolution: 17μm, 137x136
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). |
|
1-Piperidinyloxy, 4-(((dodecyloxy)hydroxyphosphinyl)oxy)-2,2,6,6-tetramethyl- Formula: C21H43NO5P (420.2879) Adducts: [M+H]+ (Ppm: 14.4) |
Homo sapiens (colorectal adenocarcinoma) |
520TopL, 490TopR, 510BottomL, 500BottomR-profileResolution: 17μm, 147x131
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-Eicosapentaenoyl Threonine Formula: C24H37NO4 (403.2722) Adducts: [M+NH4]+ (Ppm: 9.8) |
Homo sapiens (colorectal adenocarcinoma) |
520TopL, 490TopR, 510BottomL, 500BottomR-profileResolution: 17μm, 147x131
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-Eicosapentaenoyl Threonine Formula: C24H37NO4 (403.2722) Adducts: [M+NH4]+ (Ppm: 3.6) |
Homo sapiens (colorectal adenocarcinoma) |
439TopL, 409TopR, 429BottomL, 419BottomR-profileResolution: 17μm, 157x136
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). |
|
Calcium dodecanoate Formula: C24H46CaO4 (438.3022) Adducts: [M+H-H2O]+ (Ppm: 3.1) |
Homo sapiens (NA) |
160TopL,130TopR,150BottomL,140BottomR-profileResolution: 17μm, 142x136
|
|
N-Eicosapentaenoyl Threonine Formula: C24H37NO4 (403.2722) Adducts: [M+NH4]+ (Ppm: 7.7) |
Homo sapiens (NA) |
160TopL,130TopR,150BottomL,140BottomR-profileResolution: 17μm, 142x136
|
|
Farnesiferol A Formula: C24H30O4 (382.2144) Adducts: [M+K]+ (Ppm: 2.3) |
Homo sapiens (esophagus) |
LNTO29_16_3Resolution: 17μm, 108x107
|
|
Farnesiferol A Formula: C24H30O4 (382.2144) Adducts: [M+K]+ (Ppm: 0.4) |
Homo sapiens (esophagus) |
LNTO26_7_1Resolution: 17μm, 75x74
|
|
N-Eicosapentaenoyl Threonine Formula: C24H37NO4 (403.2722) Adducts: [M+NH4]+ (Ppm: 10) |
Homo sapiens (esophagus) |
TO40TResolution: 17μm, 82x74
|
|
Farnesiferol A Formula: C24H30O4 (382.2144) Adducts: [M+K]+ (Ppm: 1.8) |
Homo sapiens (esophagus) |
LNTO30_8M_2Resolution: 75μm, 108x68
|
|
Farnesiferol A Formula: C24H30O4 (382.2144) Adducts: [M+K]+ (Ppm: 1.3) |
Homo sapiens (esophagus) |
LNTO30_8M_4Resolution: 75μm, 62x48
|
|
N6-[2-[5-(Diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine Formula: C24H35N7 (421.2954) Adducts: [M-H2O+NH4]+ (Ppm: 16.9) |
Homo sapiens (esophagus) |
LNTO30_8M_5Resolution: 75μm, 56x54
|
|
N6-[2-[5-(Diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine Formula: C24H35N7 (421.2954) Adducts: [M-H2O+NH4]+ (Ppm: 14.8) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
|
|
N6-[2-[5-(Diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine Formula: C24H35N7 (421.2954) Adducts: [M-H2O+NH4]+ (Ppm: 17.7) |
Homo sapiens (esophagus) |
LNTO29_18_2Resolution: 75μm, 62x68
|
|