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 30 Reference Ions Near m/z 798.5558
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006991 Reliable 798.5644 798.564 ~ 798.5648
MzDiff: 3.1 ppm
PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018532)
Formula: C48H84NO8P (833.5934)
11.81 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000007047 Reliable 798.5583 798.558 ~ 798.5588
MzDiff: 3.1 ppm
PG(16:0/22:4(7Z,10Z,13Z,16Z)) (BioDeep_00000031659)
Formula: C44H79O10P (798.5411)
8.85 (78%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000007056 Unreliable 798.5523 798.5522 ~ 798.5524
MzDiff: 1.1 ppm
PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000210887)
Formula: C44H80NO9P (797.557)
6.55 (80%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000047398 Unreliable 798.5473 798.5473 ~ 798.5473
MzDiff: none
PC(P-16:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000214475)
Formula: C42H82NO9P (775.5727)
2.32 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052595 Unreliable 798.5529 798.5529 ~ 798.5529
MzDiff: none
PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000210887)
Formula: C44H80NO9P (797.557)
1.39 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000009138 Unreliable 798.5473 798.5473 ~ 798.5473
MzDiff: none
n-(3,4-dihydroxy-1-{[hydroxy((2,3,4,5,6-pentahydroxycyclohexyl)oxy)phosphoryl]oxy}octadecan-2-yl)hexadecanimidic acid (BioDeep_00002185953)
Formula: C40H80NO12P (797.5418)
3.05 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009139 Unreliable 798.5558 798.5558 ~ 798.5558
MzDiff: none
PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000210887)
Formula: C44H80NO9P (797.557)
3.05 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009153 Unreliable 798.5643 798.5643 ~ 798.5643
MzDiff: none
PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018532)
Formula: C48H84NO8P (833.5934)
3.03 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000021333 Unreliable 798.5632 798.5632 ~ 798.5632
MzDiff: none
SM(d18:1/PGJ2) (BioDeep_00000215515)
Formula: C43H77N2O8P (780.5417)
1.08 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000022156 Unreliable 798.5463 798.5463 ~ 798.5463
MzDiff: none
PC(P-16:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000214475)
Formula: C42H82NO9P (775.5727)
0.4 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000000572 Unavailable 798.5643 798.5643 ~ 798.5643
MzDiff: none
PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018532)
Formula: C48H84NO8P (833.5934)
-0.45 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000582 Unavailable 798.5558 798.5558 ~ 798.5558
MzDiff: none
PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000210887)
Formula: C44H80NO9P (797.557)
-0.47 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000584 Unavailable 798.5473 798.5473 ~ 798.5473
MzDiff: none
n-(3,4-dihydroxy-1-{[hydroxy((2,3,4,5,6-pentahydroxycyclohexyl)oxy)phosphoryl]oxy}octadecan-2-yl)hexadecanimidic acid (BioDeep_00002185953)
Formula: C40H80NO12P (797.5418)
-0.47 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000002456 Unreliable 798.5617 798.5617 ~ 798.5617
MzDiff: none
PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000210887)
Formula: C44H80NO9P (797.557)
1.16 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003131 Unreliable 798.5617 798.5617 ~ 798.5617
MzDiff: none
PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000210887)
Formula: C44H80NO9P (797.557)
1.88 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000004086 Unreliable 798.5624 798.5624 ~ 798.5624
MzDiff: none
PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000210887)
Formula: C44H80NO9P (797.557)
1.06 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000005131 Unavailable 798.5617 798.5617 ~ 798.5617
MzDiff: none
PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000210887)
Formula: C44H80NO9P (797.557)
-0.57 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005900 Unavailable 798.5617 798.5617 ~ 798.5617
MzDiff: none
PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000210887)
Formula: C44H80NO9P (797.557)
-0.89 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000028418 Unreliable 798.5607 798.5607 ~ 798.5607
MzDiff: none
PG(16:0/22:4(7Z,10Z,13Z,16Z)) (BioDeep_00000031659)
Formula: C44H79O10P (798.5411)
1.18 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028552 Unreliable 798.5511 798.5511 ~ 798.5511
MzDiff: none
PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000210887)
Formula: C44H80NO9P (797.557)
0.9 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029484 Unreliable 798.5511 798.5511 ~ 798.5511
MzDiff: none
PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000210887)
Formula: C44H80NO9P (797.557)
0.73 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000030813 Unreliable 798.5607 798.5607 ~ 798.5607
MzDiff: none
PG(16:0/22:4(7Z,10Z,13Z,16Z)) (BioDeep_00000031659)
Formula: C44H79O10P (798.5411)
0.91 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031042 Unreliable 798.5511 798.5511 ~ 798.5511
MzDiff: none
PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000210887)
Formula: C44H80NO9P (797.557)
0.2 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031595 Unreliable 798.5607 798.5607 ~ 798.5607
MzDiff: none
PG(16:0/22:4(7Z,10Z,13Z,16Z)) (BioDeep_00000031659)
Formula: C44H79O10P (798.5411)
0.22 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000031916 Unavailable 798.5511 798.5511 ~ 798.5511
MzDiff: none
PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000210887)
Formula: C44H80NO9P (797.557)
-0.28 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000044074 Unreliable 798.5496 798.5496 ~ 798.5496
MzDiff: none
Not Annotated 1.54 (0%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000044757 Unavailable 798.5619 798.5619 ~ 798.5619
MzDiff: none
Not Annotated -0.45 (0%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000061659 Unavailable 798.5524 798.5524 ~ 798.5524
MzDiff: none
PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000210887)
Formula: C44H80NO9P (797.557)
-0.35 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000062298 Unavailable 798.5524 798.5524 ~ 798.5524
MzDiff: none
PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000210887)
Formula: C44H80NO9P (797.557)
-0.35 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062730 Unavailable 798.5524 798.5524 ~ 798.5524
MzDiff: none
PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S)) (BioDeep_00000210887)
Formula: C44H80NO9P (797.557)
-0.35 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 12 Sample Hits
Metabolite Species Sample
PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C44H80NO9P (797.557)
Adducts: [M+H]+ (Ppm: 10.7)
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(16:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C44H80NO9P (797.557)
Adducts: [M+H]+ (Ppm: 3.3)
Rattus norvegicus (Brain)
Spectroswiss - sol_2x_br_2
Resolution: 17μm, 488x193

Description

PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C44H80NO9P (797.557)
Adducts: [M+H]+ (Ppm: 14.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C48H84NO8P (833.5934)
Adducts: [M+H-2H2O]+ (Ppm: 18.6)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C44H80NO9P (797.557)
Adducts: [M+H]+ (Ppm: 15.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C44H80NO9P (797.557)
Adducts: [M+H]+ (Ppm: 11.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

PG(16:0/22:4(7Z,10Z,13Z,16Z))

Formula: C44H79O10P (798.5411)
Adducts: [M-H2O+NH4]+ (Ppm: 7.8)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C44H80NO9P (797.557)
Adducts: [M+H]+ (Ppm: 16.6)
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

PG(16:0/22:4(7Z,10Z,13Z,16Z))

Formula: C44H79O10P (798.5411)
Adducts: [M-H2O+NH4]+ (Ppm: 4.5)
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

PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C44H80NO9P (797.557)
Adducts: [M+H]+ (Ppm: 6.7)
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).

PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C44H80NO9P (797.557)
Adducts: [M+H]+ (Ppm: 14.3)
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).

PC(16:0/20:3(5Z,8Z,11Z)-O(14R,15S))

Formula: C44H80NO9P (797.557)
Adducts: [M+H]+ (Ppm: 14.9)
Mus musculus (brain)
Brain01_Bregma1-42_02_centroid
Resolution: 17μm, 434x258

Description