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 13 Reference Ions Near m/z 812.5739
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000052554 Unreliable 812.5665 812.5665 ~ 812.5665
MzDiff: none
Not Annotated 1.68 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000064750 Unreliable 812.578 812.578 ~ 812.578
MzDiff: none
PE(20:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000186810)
Formula: C45H82NO9P (811.5727)
1.39 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000008922 Unreliable 812.5651 812.5651 ~ 812.5651
MzDiff: none
PG(a-17:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000195788)
Formula: C41H79O12P (794.5309)
3.21 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000008925 Unreliable 812.5739 812.5739 ~ 812.5739
MzDiff: none
Not Annotated 3.2 (0%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000008861 Unreliable 812.5825 812.5825 ~ 812.5825
MzDiff: none
PE(20:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000186810)
Formula: C45H82NO9P (811.5727)
3.23 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000028887 Unreliable 812.5642 812.5642 ~ 812.5642
MzDiff: none
PE(20:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000186810)
Formula: C45H82NO9P (811.5727)
0.22 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029179 Unreliable 812.5642 812.5642 ~ 812.5642
MzDiff: none
PE(20:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000186810)
Formula: C45H82NO9P (811.5727)
1.71 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000000718 Unavailable 812.5651 812.5651 ~ 812.5651
MzDiff: none
PG(a-17:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000195788)
Formula: C41H79O12P (794.5309)
-0.56 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000028513 Unreliable 812.5734 812.5734 ~ 812.5734
MzDiff: none
PA(22:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000190582)
Formula: C45H81O10P (812.5567)
0.97 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029361 Unreliable 812.5734 812.5734 ~ 812.5734
MzDiff: none
PA(22:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000190582)
Formula: C45H81O10P (812.5567)
1.17 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000000725 Unavailable 812.5739 812.5739 ~ 812.5739
MzDiff: none
Not Annotated -0.57 (0%) Mus musculus
[CL:0000066] epithelial cell
MSI_000064949 Unavailable 812.578 812.578 ~ 812.578
MzDiff: none
PE(20:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000186810)
Formula: C45H82NO9P (811.5727)
-0.11 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000000734 Unavailable 812.5825 812.5825 ~ 812.5825
MzDiff: none
PE(20:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000186810)
Formula: C45H82NO9P (811.5727)
-0.57 (100%) Mus musculus
[CL:0000066] epithelial cell

Found 8 Sample Hits
Metabolite Species Sample
m/z_812.5739

Formula: - (n/a)
Adducts: (Ppm: 0)
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.

PA(22:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C45H81O10P (812.5567)
Adducts: [M-H2O+NH4]+ (Ppm: 8.1)
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(20:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C45H82NO9P (811.5727)
Adducts: [M+H]+ (Ppm: 4.8)
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).

PE(20:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C45H82NO9P (811.5727)
Adducts: [M+H]+ (Ppm: 4.9)
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).

PE(20:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C45H82NO9P (811.5727)
Adducts: [M+H]+ (Ppm: 5.9)
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).

PE(20:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C45H82NO9P (811.5727)
Adducts: [M+H]+ (Ppm: 10.3)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

m/z_812.5746

Formula: - (n/a)
Adducts: (Ppm: 0)
Mus musculus (brain)
Brain02_Bregma-3-88
Resolution: 17μm, 288x282

Description

PE(20:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C45H82NO9P (811.5727)
Adducts: [M+H]+ (Ppm: 2.4)
Mus musculus (brain)
Brain02_Bregma-1-46
Resolution: 17μm, 294x399

Description