- 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 30 Reference Ions Near m/z 802.5694
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000043495 Reliable | 802.5625 | 802.5622 ~ 802.5629 MzDiff: 3.0 ppm |
PS(22:2(13Z,16Z)/15:0) (BioDeep_00000105119) Formula: C43H80NO10P (801.552) |
11.32 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000006810 Reliable | 802.5629 | 802.5628 ~ 802.563 MzDiff: 0.7 ppm |
PS(22:2(13Z,16Z)/15:0) (BioDeep_00000105119) Formula: C43H80NO10P (801.552) |
7.21 (100%) | Rattus norvegicus [UBERON:0004358] caput epididymis |
MSI_000046353 Reliable | 802.5626 | 802.5626 ~ 802.5626 MzDiff: none |
PC(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000169967) Formula: C47H82NO8P (819.5778) |
5.09 (100%) | Mus musculus [UBERON:0002107] liver |
MSI_000047466 Unreliable | 802.5731 | 802.5731 ~ 802.5731 MzDiff: none |
3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate (BioDeep_00000228844) Formula: C53H79O4 (779.5978) |
2.28 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000047684 Unreliable | 802.5656 | 802.5656 ~ 802.5656 MzDiff: none |
PC(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000169967) Formula: C47H82NO8P (819.5778) |
2.17 (100%) | Homo sapiens [UBERON:0013067] colorectal mucosa |
MSI_000052432 Unreliable | 802.5618 | 802.5618 ~ 802.5618 MzDiff: none |
PS(22:2(13Z,16Z)/15:0) (BioDeep_00000105119) Formula: C43H80NO10P (801.552) |
2.02 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000052513 Unreliable | 802.5694 | 802.5694 ~ 802.5694 MzDiff: none |
PC(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000169967) Formula: C47H82NO8P (819.5778) |
1.86 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000052579 Unreliable | 802.5771 | 802.5771 ~ 802.5771 MzDiff: none |
3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate (BioDeep_00000228844) Formula: C53H79O4 (779.5978) |
1.54 (100%) | Homo sapiens [UBERON:0001052] rectum |
MSI_000065425 Unreliable | 802.5754 | 802.5754 ~ 802.5756 MzDiff: 1.2 ppm |
PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000107649) Formula: C47H79O8P (802.5512) |
3.34 (33%) | Homo sapiens [UBERON:0001155] colon |
MSI_000026277 Unreliable | 802.5616 | 802.5616 ~ 802.5617 MzDiff: 0.3 ppm |
PS(22:2(13Z,16Z)/15:0) (BioDeep_00000105119) Formula: C43H80NO10P (801.552) |
3.56 (100%) | Mus musculus [UBERON:0002048] lung |
MSI_000043899 Unreliable | 802.5651 | 802.5651 ~ 802.5651 MzDiff: none |
PS(22:2(13Z,16Z)/15:0) (BioDeep_00000105119) Formula: C43H80NO10P (801.552) |
1.2 (100%) | Homo sapiens [UBERON:0001043] esophagus |
MSI_000057296 Unreliable | 802.5613 | 802.5612 ~ 802.5614 MzDiff: 1.1 ppm |
PS(22:2(13Z,16Z)/15:0) (BioDeep_00000105119) Formula: C43H80NO10P (801.552) |
2.18 (100%) | Homo sapiens [UBERON:0007779] transudate |
MSI_000058742 Unreliable | 802.5636 | 802.5634 ~ 802.5638 MzDiff: 1.8 ppm |
PS(22:2(13Z,16Z)/15:0) (BioDeep_00000105119) Formula: C43H80NO10P (801.552) |
1.13 (100%) | Mus musculus [UBERON:0001950] neocortex |
MSI_000065657 Unreliable | 802.5619 | 802.5619 ~ 802.5619 MzDiff: none |
PS(22:2(13Z,16Z)/15:0) (BioDeep_00000105119) Formula: C43H80NO10P (801.552) |
1.46 (100%) | Homo sapiens [UBERON:0001155] colon |
MSI_000065718 Unreliable | 802.5732 | 802.5732 ~ 802.5732 MzDiff: none |
PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000107649) Formula: C47H79O8P (802.5512) |
1.69 (100%) | Homo sapiens [UBERON:0001155] colon |
MSI_000002590 Unreliable | 802.5659 | 802.5659 ~ 802.5659 MzDiff: none |
PC(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000169967) Formula: C47H82NO8P (819.5778) |
0.21 (100%) | Rattus norvegicus [UBERON:0001950] neocortex |
MSI_000003054 Unreliable | 802.5659 | 802.5659 ~ 802.5659 MzDiff: none |
PC(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000169967) Formula: C47H82NO8P (819.5778) |
2.37 (100%) | Rattus norvegicus [UBERON:0002037] cerebellum |
MSI_000005154 Unavailable | 802.5659 | 802.5659 ~ 802.5659 MzDiff: none |
PC(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000169967) Formula: C47H82NO8P (819.5778) |
-0.61 (100%) | Rattus norvegicus [UBERON:0002298] brainstem |
MSI_000005801 Unavailable | 802.5659 | 802.5659 ~ 802.5659 MzDiff: none |
PC(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000169967) Formula: C47H82NO8P (819.5778) |
-0.67 (100%) | Rattus norvegicus [UBERON:0002435] striatum |
MSI_000027690 Unreliable | 802.5631 | 802.5631 ~ 802.5631 MzDiff: none |
PS(22:2(13Z,16Z)/15:0) (BioDeep_00000105119) Formula: C43H80NO10P (801.552) |
2.04 (100%) | Mus musculus [UBERON:0002048] lung |
MSI_000028235 Unreliable | 802.5746 | 802.5746 ~ 802.5746 MzDiff: none |
3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate (BioDeep_00000228844) Formula: C53H79O4 (779.5978) |
1.63 (100%) | Macropus giganteus [UBERON:0001891] midbrain |
MSI_000030077 Unreliable | 802.5594 | 802.5594 ~ 802.5594 MzDiff: none |
PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000107649) Formula: C47H79O8P (802.5512) |
2.35 (100%) | Macropus giganteus [UBERON:0003027] cingulate cortex |
MSI_000030102 Unreliable | 802.568 | 802.568 ~ 802.568 MzDiff: none |
PS(22:2(13Z,16Z)/15:0) (BioDeep_00000105119) Formula: C43H80NO10P (801.552) |
2.3 (100%) | Macropus giganteus [UBERON:0003027] cingulate cortex |
MSI_000044140 Unreliable | 802.5626 | 802.5626 ~ 802.5626 MzDiff: none |
PS(22:2(13Z,16Z)/15:0) (BioDeep_00000105119) Formula: C43H80NO10P (801.552) |
1.21 (100%) | Rattus norvegicus [UBERON:0002264] olfactory bulb |
MSI_000056299 Unavailable | 802.5632 | 802.5632 ~ 802.5632 MzDiff: none |
PS(22:2(13Z,16Z)/15:0) (BioDeep_00000105119) Formula: C43H80NO10P (801.552) |
-0.6 (100%) | Homo sapiens [UBERON:0007779] transudate |
MSI_000057578 Unreliable | 802.5622 | 802.5622 ~ 802.5622 MzDiff: none |
PS(22:2(13Z,16Z)/15:0) (BioDeep_00000105119) Formula: C43H80NO10P (801.552) |
0.82 (100%) | Homo sapiens [UBERON:0007779] transudate |
MSI_000060123 Unavailable | 802.5634 | 802.5634 ~ 802.5634 MzDiff: none |
PS(22:2(13Z,16Z)/15:0) (BioDeep_00000105119) Formula: C43H80NO10P (801.552) |
-0.99 (100%) | Mus musculus [UBERON:0002298] brainstem |
MSI_000060402 Unavailable | 802.5634 | 802.5634 ~ 802.5634 MzDiff: none |
PS(22:2(13Z,16Z)/15:0) (BioDeep_00000105119) Formula: C43H80NO10P (801.552) |
-0.01 (100%) | Mus musculus [UBERON:0002421] hippocampal formation |
MSI_000061316 Unreliable | 802.5627 | 802.5627 ~ 802.5627 MzDiff: none |
PS(22:2(13Z,16Z)/15:0) (BioDeep_00000105119) Formula: C43H80NO10P (801.552) |
0.31 (100%) | Mus musculus [UBERON:0000956] cerebral cortex |
MSI_000061522 Unavailable | 802.5727 | 802.5727 ~ 802.5727 MzDiff: none |
3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate (BioDeep_00000228844) Formula: C53H79O4 (779.5978) |
-0.34 (100%) | Mus musculus [UBERON:0000956] cerebral cortex |
Found 27 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
PC(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H82NO8P (819.5778) Adducts: [M+H-H2O]+ (Ppm: 10.7) |
Rattus norvegicus (Brain) |
Spectroswiss - sol_2x_br_2Resolution: 17μm, 488x193
|
|
PS(22:2(13Z,16Z)/15:0) Formula: C43H80NO10P (801.552) Adducts: [M+H]+ (Ppm: 5.1) |
Rattus norvegicus (Epididymis) |
epik_dhb_head_ito08_43Resolution: 17μm, 298x106
|
|
PS(22:2(13Z,16Z)/15:0) Formula: C43H80NO10P (801.552) Adducts: [M+H]+ (Ppm: 4.9) |
Rattus norvegicus (Epididymis) |
epik_dhb_head_ito08_44Resolution: 17μm, 299x111
|
|
PS(22:2(13Z,16Z)/15:0) Formula: C43H80NO10P (801.552) Adducts: [M+H]+ (Ppm: 4.6) |
Rattus norvegicus (Epididymis) |
epik_dhb_head_ito08_46Resolution: 17μm, 298x106
|
|
PS(22:2(13Z,16Z)/15:0) Formula: C43H80NO10P (801.552) Adducts: [M+H]+ (Ppm: 4.7) |
Rattus norvegicus (Epididymis) |
epik_dhb_head_ito08_47Resolution: 17μm, 301x111
|
|
PS(22:2(13Z,16Z)/15:0) Formula: C43H80NO10P (801.552) Adducts: [M+H]+ (Ppm: 4.4) |
Rattus norvegicus (Epididymis) |
epik_dhb_head_ito08_48Resolution: 17μm, 294x107
|
|
PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H79O8P (802.5512) Adducts: [M-H2O+NH4]+ (Ppm: 11.7) |
Mus musculus (Lung) |
image3Resolution: 40μm, 146x190
Fig. 4 MALDI-MSI data of mouse lung tissue after administration with D9-choline and U13C-DPPC–containing Poractant alfa surfactant (labels administered 12 h prior to tissue collection). Ion images of (A) m/z 796.6856 ([U13C-DPPC+Na]+), (B) m/z 756.5154 [PC32:0+Na]+), and (C) m/z 765.6079 ([D9-PC32:0+Na]+). D: Overlay image of [U13C-PC32:0+Na]+ (red) and [D9-PC32:0+Na]+ (green). Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC. |
|
PS(22:2(13Z,16Z)/15:0) Formula: C43H80NO10P (801.552) Adducts: [M+H]+ (Ppm: 4.8) |
Mus musculus (Lung) |
image2Resolution: 40μm, 550x256
Supplementary Figure S6. Ion distribution images for (a) [PC36:4+Na]+ (m/z 804.5514) and (b)
[PC38:6+Na]+ (m/z 828.5515) obtained from mouse lung tissue collected 6 h after administration of D9-
choline and U13C-DPPC–containing CHF5633. Parts-per-million (ppm) mass errors are indicated in
parentheses. (c) Magnification of the boxed region in (a) with selected bronchiolar regions outlined in
white boxes. (d) The corresponding H&E-stained tissue section with the same selected bronchiolar
regions outlined in black boxes. These data demonstrate the co-localisation of the polyunsaturated lipids
PC36:4 and PC38:6 with the bronchiolar regions of the lung. All MSI images were visualised using
total ion current normalisation and hotspot removal (high quantile = 99%). |
|
PS(22:2(13Z,16Z)/15:0) Formula: C43H80NO10P (801.552) Adducts: [M+H]+ (Ppm: 10.9) |
Macropus giganteus (Brain) |
170321_kangaroobrain-dan3-pos_maxof50.0_med1Resolution: 50μm, 81x50
Sample information
Organism: Macropus giganteus (kangaroo)
Organism part: Brain
Condition: Wildtype
Sample growth conditions: Wild |
|
PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H79O8P (802.5512) Adducts: [M-H2O+NH4]+ (Ppm: 6) |
Homo sapiens (esophagus) |
LNTO22_1_3Resolution: 75μm, 121x68
|
|
PS(22:2(13Z,16Z)/15:0) Formula: C43H80NO10P (801.552) Adducts: [M+H]+ (Ppm: 7.3) |
Homo sapiens (esophagus) |
LNTO22_1_9Resolution: 75μm, 89x74
|
|
PC(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H82NO8P (819.5778) Adducts: [M+H-H2O]+ (Ppm: 14.8) |
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. |
|
PC(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H82NO8P (819.5778) Adducts: [M+H-H2O]+ (Ppm: 11.1) |
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). |
|
PS(22:2(13Z,16Z)/15:0) Formula: C43H80NO10P (801.552) Adducts: [M+H]+ (Ppm: 16) |
Mytilus edulis (mantle) |
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210Resolution: 10μm, 275x210
|
|
PC(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H82NO8P (819.5778) Adducts: [M+H-H2O]+ (Ppm: 0.6) |
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). |
|
PC(17:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H82NO8P (819.5778) Adducts: [M+H-H2O]+ (Ppm: 6.3) |
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). |
|
PS(22:2(13Z,16Z)/15:0) Formula: C43H80NO10P (801.552) Adducts: [M+H]+ (Ppm: 3.8) |
Homo sapiens (esophagus) |
LNTO26_7_1Resolution: 17μm, 75x74
|
|
PS(22:2(13Z,16Z)/15:0) Formula: C43H80NO10P (801.552) Adducts: [M+H]+ (Ppm: 4.9) |
Homo sapiens (esophagus) |
LNTO26_7_2Resolution: 17μm, 135x101
|
|
PS(22:2(13Z,16Z)/15:0) Formula: C43H80NO10P (801.552) Adducts: [M+H]+ (Ppm: 3.9) |
Homo sapiens (esophagus) |
LNTO26_7_3Resolution: 75μm, 82x88
|
|
PS(22:2(13Z,16Z)/15:0) Formula: C43H80NO10P (801.552) Adducts: [M+H]+ (Ppm: 6.6) |
Homo sapiens (esophagus) |
TO29TResolution: 75μm, 56x48
|
|
3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate Formula: C53H79O4 (779.5978) Adducts: [M+Na]+ (Ppm: 14.5) |
Homo sapiens (esophagus) |
LNTO22_1_7Resolution: 75μm, 69x54
|
|
PS(22:2(13Z,16Z)/15:0) Formula: C43H80NO10P (801.552) Adducts: [M+H]+ (Ppm: 4.4) |
Homo sapiens (esophagus) |
LNTO22_1_8Resolution: 75μm, 69x61
|
|
SM(d18:0/PGF2alpha) Formula: C43H83N2O9P (802.5836) Adducts: [M]+ (Ppm: 16.1) |
Homo sapiens (esophagus) |
LNTO22_2_2Resolution: 75μm, 135x94
|
|
m/z_802.5695 Formula: - (n/a) Adducts: (Ppm: 0) |
Homo sapiens (colorectal adenocarcinoma) |
240TopL, 210TopR, 230BottomL, 220BottomR-centroidResolution: 50μm, 142x141
|
|
PS(22:2(13Z,16Z)/15:0) Formula: C43H80NO10P (801.552) Adducts: [M+H]+ (Ppm: 5.2) |
Homo sapiens (colorectal adenocarcinoma) |
200TopL, 170TopR, 190BottomL, 180BottomR-centroidResolution: 50μm, 132x126
|
|
PA(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Formula: C47H79O8P (802.5512) Adducts: [M-H2O+NH4]+ (Ppm: 1.6) |
Homo sapiens (colorectal adenocarcinoma) |
160TopL,130TopR,150BottomL,140BottomR-centroidResolution: 50μm, 142x136
|
|
PS(22:2(13Z,16Z)/15:0) Formula: C43H80NO10P (801.552) Adducts: [M+H]+ (Ppm: 4.1) |
Homo sapiens (colorectal adenocarcinoma) |
120TopL, 90TopR, 110BottomL, 100BottomR-centroidResolution: 50μm, 132x136
|
|