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 8 Reference Ions Near m/z 799.501
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000009225 Unreliable 799.503 799.503 ~ 799.503
MzDiff: none
PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000031737)
Formula: C46H73O10P (816.4941)
2.83 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000777 Unavailable 799.503 799.503 ~ 799.503
MzDiff: none
PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000031737)
Formula: C46H73O10P (816.4941)
-0.59 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000028382 Unreliable 799.5094 799.5094 ~ 799.5094
MzDiff: none
(1R,4E,5'R,6R,6'R,7S,8S,10S,11S,12R,14S,15R,16S,18E,20E,22S,25R,27S,29S)-22-Ethyl-7,11,14,15-tetrahydroxy-6'-(2-hydroxypropyl)-5',6,8,10,12,14,16,29-octamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione (BioDeep_00000171574)
Formula: C44H72O11 (776.5074)
1.25 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029000 Unreliable 799.5011 799.5011 ~ 799.5011
MzDiff: none
PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000031737)
Formula: C46H73O10P (816.4941)
0.04 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029431 Unreliable 799.5094 799.5094 ~ 799.5094
MzDiff: none
(1R,4E,5'R,6R,6'R,7S,8S,10S,11S,12R,14S,15R,16S,18E,20E,22S,25R,27S,29S)-22-Ethyl-7,11,14,15-tetrahydroxy-6'-(2-hydroxypropyl)-5',6,8,10,12,14,16,29-octamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione (BioDeep_00000171574)
Formula: C44H72O11 (776.5074)
0.93 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000030022 Unavailable 799.5011 799.5011 ~ 799.5011
MzDiff: none
PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000031737)
Formula: C46H73O10P (816.4941)
-0.41 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000044047 Unreliable 799.4945 799.4945 ~ 799.4945
MzDiff: none
Arginyl-arginyl-prolyl-tyrosyl-isoleucyl-leucine (BioDeep_00000175645)
Formula: C38H64N12O8 (816.497)
1.74 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000050090 Unreliable 799.4993 799.4993 ~ 799.4993
MzDiff: none
PI(16:0/18:2) (BioDeep_00000019302)
Formula: C43H79O13P (834.5258)
0.95 (100%) Mytilus edulis
[UBERON:0009120] gill filament

Found 5 Sample Hits
Metabolite Species Sample
PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H73O10P (816.4941)
Adducts: [M+H-H2O]+ (Ppm: 15.2)
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.

PG(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H73O10P (816.4941)
Adducts: [M+H-H2O]+ (Ppm: 12.9)
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

PI(16:0/18:2)

Formula: C43H79O13P (834.5258)
Adducts: [M+H-2H2O]+ (Ppm: 14.7)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description

PI(16:0/18:2)

Formula: C43H79O13P (834.5258)
Adducts: [M+H-2H2O]+ (Ppm: 15.8)
Mytilus edulis (gill)
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210
Resolution: 11μm, 305x210

Description

single cell layer class_4 is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell

PI(16:0/18:2)

Formula: C43H79O13P (834.5258)
Adducts: [M+H-2H2O]+ (Ppm: 13.7)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description