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 18 Reference Ions Near m/z 739.4838
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000008902 Unreliable 739.4933 739.4933 ~ 739.4933
MzDiff: none
(2e,4s,7r)-7-hydroxy-8-[(2s,4r,5r,7s,9r,10r)-2-[(2s,2'r,3's,5r,5'r)-5'-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-9-(methoxymethyl)-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,4-dimethyloct-2-enoic acid (BioDeep_00002079285)
Formula: C41H70O11 (738.4918)
3.21 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009040 Unreliable 739.4838 739.4838 ~ 739.4838
MzDiff: none
PA(13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000187916)
Formula: C36H61O11P (700.3951)
3.13 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009052 Unreliable 739.4763 739.4763 ~ 739.4763
MzDiff: none
PG(a-13:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000195580)
Formula: C37H71O12P (738.4683)
3.12 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000021379 Unreliable 739.4901 739.4901 ~ 739.4901
MzDiff: none
PE-NMe(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (BioDeep_00000105365)
Formula: C40H68NO8P (721.4682)
1.01 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000000807 Unavailable 739.4933 739.4933 ~ 739.4933
MzDiff: none
(2e,4s,7r)-7-hydroxy-8-[(2s,4r,5r,7s,9r,10r)-2-[(2s,2'r,3's,5r,5'r)-5'-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-9-(methoxymethyl)-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,4-dimethyloct-2-enoic acid (BioDeep_00002079285)
Formula: C41H70O11 (738.4918)
-0.61 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000858 Unavailable 739.4838 739.4838 ~ 739.4838
MzDiff: none
PA(13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000187916)
Formula: C36H61O11P (700.3951)
-0.65 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000860 Unavailable 739.4763 739.4763 ~ 739.4763
MzDiff: none
PG(a-13:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000195580)
Formula: C37H71O12P (738.4683)
-0.65 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000002492 Unreliable 739.4851 739.4851 ~ 739.4851
MzDiff: none
(2e,4s,7r)-7-hydroxy-8-[(2s,4r,5r,7s,9r,10r)-2-[(2s,2'r,3's,5r,5'r)-5'-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-9-(methoxymethyl)-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,4-dimethyloct-2-enoic acid (BioDeep_00002079285)
Formula: C41H70O11 (738.4918)
0.92 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003146 Unreliable 739.4851 739.4851 ~ 739.4851
MzDiff: none
(2e,4s,7r)-7-hydroxy-8-[(2s,4r,5r,7s,9r,10r)-2-[(2s,2'r,3's,5r,5'r)-5'-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-9-(methoxymethyl)-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,4-dimethyloct-2-enoic acid (BioDeep_00002079285)
Formula: C41H70O11 (738.4918)
1.78 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000004927 Unreliable 739.4851 739.4851 ~ 739.4851
MzDiff: none
(2e,4s,7r)-7-hydroxy-8-[(2s,4r,5r,7s,9r,10r)-2-[(2s,2'r,3's,5r,5'r)-5'-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-9-(methoxymethyl)-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,4-dimethyloct-2-enoic acid (BioDeep_00002079285)
Formula: C41H70O11 (738.4918)
0.17 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005948 Unavailable 739.4851 739.4851 ~ 739.4851
MzDiff: none
(2e,4s,7r)-7-hydroxy-8-[(2s,4r,5r,7s,9r,10r)-2-[(2s,2'r,3's,5r,5'r)-5'-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-9-(methoxymethyl)-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,4-dimethyloct-2-enoic acid (BioDeep_00002079285)
Formula: C41H70O11 (738.4918)
-1.06 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000028883 Unreliable 739.4765 739.4765 ~ 739.4765
MzDiff: none
PA(18:0/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000188619)
Formula: C41H71O9P (738.4835)
0.22 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029651 Unreliable 739.4765 739.4765 ~ 739.4765
MzDiff: none
PA(18:0/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000188619)
Formula: C41H71O9P (738.4835)
0 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000029856 Unavailable 739.4856 739.4856 ~ 739.4856
MzDiff: none
PA(13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000187916)
Formula: C36H61O11P (700.3951)
-0.29 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000030579 Unreliable 739.4856 739.4856 ~ 739.4856
MzDiff: none
PA(13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000187916)
Formula: C36H61O11P (700.3951)
1.51 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000030695 Unreliable 739.4765 739.4765 ~ 739.4765
MzDiff: none
PA(18:0/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000188619)
Formula: C41H71O9P (738.4835)
1.23 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031297 Unreliable 739.4856 739.4856 ~ 739.4856
MzDiff: none
PA(13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000187916)
Formula: C36H61O11P (700.3951)
1.39 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000031317 Unreliable 739.4765 739.4765 ~ 739.4765
MzDiff: none
PA(18:0/20:4(6E,8Z,11Z,14Z)+=O(5)) (BioDeep_00000188619)
Formula: C41H71O9P (738.4835)
1.31 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex

Found 7 Sample Hits
Metabolite Species Sample
PA(13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C36H61O11P (700.3951)
Adducts: [M+K]+ (Ppm: 12.3)
Mus musculus (Urinary bladder)
HR2MSI_mouse_urinary_bladder - S096
Resolution: 10μm, 260x134

Description

Mass spectrometry imaging of phospholipids in mouse urinary bladder (imzML dataset)
The spatial distribution of phospholipids in a tissue section of mouse urinary bladder was analyzed by MALDI MS imaging at 10 micrometer pixel size with high mass resolution (using an LTQ Orbitrap mass spectrometer).

R, ö, mpp A, Guenther S, Schober Y, Schulz O, Takats Z, Kummer W, Spengler B, Histology by mass spectrometry: label-free tissue characterization obtained from high-accuracy bioanalytical imaging. Angew Chem Int Ed Engl, 49(22):3834-8(2010)

Fig. S2: Single ion images of compounds shown in Fig. 1A-B : (upper left to lower right) m/z = 743.5482 (unknown), m/z = 741.5307 (SM (16:0), [M+K]+), m/z = 798.5410 (PC (34:1), [M+K]+), m/z = 616.1767 (heme b, M+), m/z = 772.5253 (PC (32:0), [M+K]+).

Stability of determined mass values was in the range of +/- 1 ppm over 22 hours of measurement (Fig. S4), with a standard deviation of 0.56 ppm. Accuracy data were obtained during tissue scanning experiments by monitoring the mass signal at nominal mass 798. The internal lock mass function of the Orbitrap instrument was used for automatic calibration during imaging measurements, using the known matrix-related ion signals at m/z = 137.0233, m/z = 444.0925 and m/z = 716.1246.

(2e,4s,7r)-7-hydroxy-8-[(2s,4r,5r,7s,9r,10r)-2-[(2s,2'r,3's,5r,5'r)-5'-[(2s,3s,5r,6r)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-2,3'-dimethyl-[2,2'-bioxolan]-5-yl]-9-(methoxymethyl)-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,4-dimethyloct-2-enoic acid

Formula: C41H70O11 (738.4918)
Adducts: [M+H]+ (Ppm: 18.9)
Rattus norvegicus (Brain)
Spectroswiss - sol_2x_br_2
Resolution: 17μm, 488x193

Description

PA(18:0/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C41H71O9P (738.4835)
Adducts: [M+H]+ (Ppm: 19.4)
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(13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C36H61O11P (700.3951)
Adducts: [M+K]+ (Ppm: 9.8)
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(18:0/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C41H71O9P (738.4835)
Adducts: [M+H]+ (Ppm: 2.4)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PA(18:0/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C41H71O9P (738.4835)
Adducts: [M+H]+ (Ppm: 4.8)
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.

PA(18:0/20:4(6E,8Z,11Z,14Z)+=O(5))

Formula: C41H71O9P (738.4835)
Adducts: [M+H]+ (Ppm: 3.5)
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).