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 22 Reference Ions Near m/z 820.5401
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006071 Reliable 820.5363 820.536 ~ 820.5368
MzDiff: 3.3 ppm
PC(16:1(9Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211071)
Formula: C46H78NO9P (819.5414)
16.48 (83%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000006453 Reliable 820.5424 820.5422 ~ 820.5427
MzDiff: 2.4 ppm
PG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019292)
Formula: C46H77O10P (820.5254)
9.78 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000011420 Unreliable 820.5336 820.5336 ~ 820.5336
MzDiff: none
PS(18:1(11Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000206472)
Formula: C42H78NO12P (819.5261)
0.43 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000052158 Unreliable 820.5478 820.5478 ~ 820.5478
MzDiff: none
Not Annotated 2.3 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052367 Unreliable 820.5304 820.5304 ~ 820.5304
MzDiff: none
Not Annotated 2.14 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052509 Unreliable 820.5401 820.5401 ~ 820.5401
MzDiff: none
Not Annotated 1.89 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000009209 Unreliable 820.5425 820.5425 ~ 820.5425
MzDiff: none
PG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019292)
Formula: C46H77O10P (820.5254)
2.92 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000100 Unreliable 820.5336 820.5336 ~ 820.5336
MzDiff: none
PS(18:1(11Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000206472)
Formula: C42H78NO12P (819.5261)
2.05 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000440 Unavailable 820.5425 820.5425 ~ 820.5425
MzDiff: none
PG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019292)
Formula: C46H77O10P (820.5254)
-0.1 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000004171 Unreliable 820.5461 820.5461 ~ 820.5461
MzDiff: none
PC(16:1(9Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211071)
Formula: C46H78NO9P (819.5414)
0.94 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000028278 Unreliable 820.5338 820.5338 ~ 820.5338
MzDiff: none
PS(18:1(11Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000206472)
Formula: C42H78NO12P (819.5261)
1.53 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028692 Unreliable 820.5429 820.5429 ~ 820.5429
MzDiff: none
PG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019292)
Formula: C46H77O10P (820.5254)
0.58 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029705 Unavailable 820.5338 820.5338 ~ 820.5338
MzDiff: none
PS(18:1(11Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000206472)
Formula: C42H78NO12P (819.5261)
-0.16 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000030698 Unreliable 820.5429 820.5429 ~ 820.5429
MzDiff: none
PG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019292)
Formula: C46H77O10P (820.5254)
1.22 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000030859 Unreliable 820.5338 820.5338 ~ 820.5338
MzDiff: none
PS(18:1(11Z)/18:1(12Z)-2OH(9,10)) (BioDeep_00000206472)
Formula: C42H78NO12P (819.5261)
0.78 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031831 Unavailable 820.5429 820.5429 ~ 820.5429
MzDiff: none
PG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000019292)
Formula: C46H77O10P (820.5254)
-0.21 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000044265 Unreliable 820.534 820.534 ~ 820.534
MzDiff: none
Not Annotated 0.43 (0%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000044442 Unavailable 820.5465 820.5465 ~ 820.5465
MzDiff: none
Not Annotated -0.25 (0%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000055873 Unavailable 820.5349 820.5349 ~ 820.5349
MzDiff: none
Not Annotated -0.24 (0%) Homo sapiens
[UBERON:0007779] transudate
MSI_000061644 Unavailable 820.5366 820.5366 ~ 820.5366
MzDiff: none
PC(16:1(9Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211071)
Formula: C46H78NO9P (819.5414)
-0.35 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000062313 Unavailable 820.5366 820.5366 ~ 820.5366
MzDiff: none
PC(16:1(9Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211071)
Formula: C46H78NO9P (819.5414)
-0.35 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062745 Unavailable 820.5366 820.5366 ~ 820.5366
MzDiff: none
PC(16:1(9Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211071)
Formula: C46H78NO9P (819.5414)
-0.35 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 13 Sample Hits
Metabolite Species Sample
PG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H77O10P (820.5254)
Adducts: [M-H2O+NH4]+ (Ppm: 7.5)
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.

PC(16:1(9Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H78NO9P (819.5414)
Adducts: [M+H]+ (Ppm: 13.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

PG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H77O10P (820.5254)
Adducts: [M-H2O+NH4]+ (Ppm: 7.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

PC(16:1(9Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H78NO9P (819.5414)
Adducts: [M+H]+ (Ppm: 14.6)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

m/z_820.5329

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

PG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H77O10P (820.5254)
Adducts: [M-H2O+NH4]+ (Ppm: 7)
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

m/z_820.5377

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

m/z_820.541

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

m/z_820.5401

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

m/z_820.5431

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

m/z_820.5349

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description

m/z_820.5355

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

PC(16:1(9Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C46H78NO9P (819.5414)
Adducts: [M+H]+ (Ppm: 14.7)
Mus musculus (brain)
Brain01_Bregma1-42_02_centroid
Resolution: 17μm, 434x258

Description