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 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_2
Resolution: 17μm, 488x193

Description

PS(22:2(13Z,16Z)/15:0)

Formula: C43H80NO10P (801.552)
Adducts: [M+H]+ (Ppm: 5.1)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

PS(22:2(13Z,16Z)/15:0)

Formula: C43H80NO10P (801.552)
Adducts: [M+H]+ (Ppm: 4.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

PS(22:2(13Z,16Z)/15:0)

Formula: C43H80NO10P (801.552)
Adducts: [M+H]+ (Ppm: 4.6)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

PS(22:2(13Z,16Z)/15:0)

Formula: C43H80NO10P (801.552)
Adducts: [M+H]+ (Ppm: 4.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

PS(22:2(13Z,16Z)/15:0)

Formula: C43H80NO10P (801.552)
Adducts: [M+H]+ (Ppm: 4.4)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

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)
image3
Resolution: 40μm, 146x190

Description

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)
image2
Resolution: 40μm, 550x256

Description

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_med1
Resolution: 50μm, 81x50

Description

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_3
Resolution: 75μm, 121x68

Description

PS(22:2(13Z,16Z)/15:0)

Formula: C43H80NO10P (801.552)
Adducts: [M+H]+ (Ppm: 7.3)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

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_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.

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-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).

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_275x210
Resolution: 10μm, 275x210

Description

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-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).

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-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).

PS(22:2(13Z,16Z)/15:0)

Formula: C43H80NO10P (801.552)
Adducts: [M+H]+ (Ppm: 3.8)
Homo sapiens (esophagus)
LNTO26_7_1
Resolution: 17μm, 75x74

Description

PS(22:2(13Z,16Z)/15:0)

Formula: C43H80NO10P (801.552)
Adducts: [M+H]+ (Ppm: 4.9)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

PS(22:2(13Z,16Z)/15:0)

Formula: C43H80NO10P (801.552)
Adducts: [M+H]+ (Ppm: 3.9)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PS(22:2(13Z,16Z)/15:0)

Formula: C43H80NO10P (801.552)
Adducts: [M+H]+ (Ppm: 6.6)
Homo sapiens (esophagus)
TO29T
Resolution: 75μm, 56x48

Description

3-methoxy-4-hydroxy-5-all-trans-nonaprenylbenzoate

Formula: C53H79O4 (779.5978)
Adducts: [M+Na]+ (Ppm: 14.5)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PS(22:2(13Z,16Z)/15:0)

Formula: C43H80NO10P (801.552)
Adducts: [M+H]+ (Ppm: 4.4)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

SM(d18:0/PGF2alpha)

Formula: C43H83N2O9P (802.5836)
Adducts: [M]+ (Ppm: 16.1)
Homo sapiens (esophagus)
LNTO22_2_2
Resolution: 75μm, 135x94

Description

m/z_802.5695

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

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-centroid
Resolution: 50μm, 132x126

Description

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-centroid
Resolution: 50μm, 142x136

Description

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-centroid
Resolution: 50μm, 132x136

Description