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 16 Reference Ions Near m/z 806.5256
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000021459 Unreliable 806.5163 806.5163 ~ 806.5163
MzDiff: none
PE(18:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000186082)
Formula: C43H78NO9P (783.5414)
0.91 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000009025 Unreliable 806.5173 806.5173 ~ 806.5173
MzDiff: none
PE(16:0/6 keto-PGF1alpha) (BioDeep_00000185906)
Formula: C41H76NO12P (805.5105)
3.14 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009039 Unreliable 806.5256 806.5256 ~ 806.5256
MzDiff: none
PE(18:1(11Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000186266)
Formula: C45H76NO9P (805.5257)
3.13 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009022 Unreliable 806.5348 806.5348 ~ 806.5348
MzDiff: none
Not Annotated 3.15 (%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000810 Unavailable 806.5173 806.5173 ~ 806.5173
MzDiff: none
PE(16:0/6 keto-PGF1alpha) (BioDeep_00000185906)
Formula: C41H76NO12P (805.5105)
-0.61 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000028555 Unreliable 806.5218 806.5218 ~ 806.5218
MzDiff: none
PE(18:1(11Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000186266)
Formula: C45H76NO9P (805.5257)
0.89 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000030682 Unreliable 806.5218 806.5218 ~ 806.5218
MzDiff: none
PE(18:1(11Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000186266)
Formula: C45H76NO9P (805.5257)
1.26 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031567 Unreliable 806.5218 806.5218 ~ 806.5218
MzDiff: none
PE(18:1(11Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000186266)
Formula: C45H76NO9P (805.5257)
0.3 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000000817 Unavailable 806.5256 806.5256 ~ 806.5256
MzDiff: none
PE(18:1(11Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000186266)
Formula: C45H76NO9P (805.5257)
-0.61 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000061599 Unavailable 806.5269 806.5269 ~ 806.5269
MzDiff: none
PE(18:1(11Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000186266)
Formula: C45H76NO9P (805.5257)
-0.35 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000062358 Unavailable 806.5269 806.5269 ~ 806.5269
MzDiff: none
PE(18:1(11Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000186266)
Formula: C45H76NO9P (805.5257)
-0.35 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062792 Unavailable 806.5269 806.5269 ~ 806.5269
MzDiff: none
PE(18:1(11Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000186266)
Formula: C45H76NO9P (805.5257)
-0.35 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000028713 Unreliable 806.5288 806.5288 ~ 806.5288
MzDiff: none
N-di-Demethyl roxithromycin (BioDeep_00000054166)
Formula: C40H74N2O14 (806.514)
0.54 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000030841 Unreliable 806.5288 806.5288 ~ 806.5288
MzDiff: none
N-di-Demethyl roxithromycin (BioDeep_00000054166)
Formula: C40H74N2O14 (806.514)
0.84 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000058367 Unreliable 806.5346 806.5346 ~ 806.5346
MzDiff: none
PE(18:1(11Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000186266)
Formula: C45H76NO9P (805.5257)
1.05 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000000819 Unavailable 806.5348 806.5348 ~ 806.5348
MzDiff: none
Not Annotated -0.61 (%) Mus musculus
[CL:0000066] epithelial cell

Found 3 Sample Hits
Metabolite Species Sample
PE(18:1(11Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C45H76NO9P (805.5257)
Adducts: [M+H]+ (Ppm: 9.2)
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.

N-di-Demethyl roxithromycin

Formula: C40H74N2O14 (806.514)
Adducts: [M-H2O+NH4]+ (Ppm: 10.5)
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

PE(18:1(11Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C45H76NO9P (805.5257)
Adducts: [M+H]+ (Ppm: 7.6)
Mus musculus (brain)
Brain01_Bregma1-42_02_centroid
Resolution: 17μm, 434x258

Description