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 844.5429
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000011500 Unreliable 844.543 844.543 ~ 844.543
MzDiff: none
PGP(a-13:0/i-22:0) (BioDeep_00000108883)
Formula: C41H82O13P2 (844.523)
0 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011506 Unavailable 844.5336 844.5336 ~ 844.5336
MzDiff: none
PS(18:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000206350)
Formula: C44H78NO12P (843.5261)
-0.05 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000047008 Unreliable 844.5504 844.5504 ~ 844.5504
MzDiff: none
PA(22:1(13Z)/6 keto-PGF1alpha) (BioDeep_00000190678)
Formula: C45H81O12P (844.5465)
3.03 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047548 Unreliable 844.5442 844.5442 ~ 844.5442
MzDiff: none
Not Annotated 2.24 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047666 Unreliable 844.5372 844.5372 ~ 844.5372
MzDiff: none
Not Annotated 2.18 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052620 Unreliable 844.5385 844.5385 ~ 844.5385
MzDiff: none
Not Annotated 1.13 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000009746 Unavailable 844.543 844.543 ~ 844.543
MzDiff: none
PGP(a-13:0/i-22:0) (BioDeep_00000108883)
Formula: C41H82O13P2 (844.523)
-1.58 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009754 Unavailable 844.5336 844.5336 ~ 844.5336
MzDiff: none
PS(18:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000206350)
Formula: C44H78NO12P (843.5261)
-1.6 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000021417 Unreliable 844.5371 844.5371 ~ 844.5371
MzDiff: none
PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211694)
Formula: C48H78NO9P (843.5414)
0.96 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000065262 Unreliable 844.5425 844.5425 ~ 844.5425
MzDiff: none
PG(18:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000193829)
Formula: C44H77O13P (844.5102)
1.21 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000000015 Unreliable 844.5336 844.5336 ~ 844.5336
MzDiff: none
PS(18:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000206350)
Formula: C44H78NO12P (843.5261)
2.26 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000016 Unreliable 844.543 844.543 ~ 844.543
MzDiff: none
PGP(a-13:0/i-22:0) (BioDeep_00000108883)
Formula: C41H82O13P2 (844.523)
2.25 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000028479 Unreliable 844.5439 844.5439 ~ 844.5439
MzDiff: none
Not Annotated 1.04 (0%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028507 Unreliable 844.5523 844.5523 ~ 844.5523
MzDiff: none
Not Annotated 0.98 (0%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028659 Unreliable 844.5384 844.5384 ~ 844.5384
MzDiff: none
PGP(a-13:0/i-22:0) (BioDeep_00000108883)
Formula: C41H82O13P2 (844.523)
0.66 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029598 Unreliable 844.5384 844.5384 ~ 844.5384
MzDiff: none
PGP(a-13:0/i-22:0) (BioDeep_00000108883)
Formula: C41H82O13P2 (844.523)
0.25 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000030885 Unreliable 844.5439 844.5439 ~ 844.5439
MzDiff: none
Not Annotated 0.69 (0%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031224 Unreliable 844.5384 844.5384 ~ 844.5384
MzDiff: none
PGP(a-13:0/i-22:0) (BioDeep_00000108883)
Formula: C41H82O13P2 (844.523)
1.76 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000043950 Unreliable 844.5341 844.5341 ~ 844.5341
MzDiff: none
Not Annotated 2.46 (0%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000061671 Unavailable 844.5429 844.5429 ~ 844.5429
MzDiff: none
PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211694)
Formula: C48H78NO9P (843.5414)
-0.35 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000062397 Unavailable 844.5429 844.5429 ~ 844.5429
MzDiff: none
PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211694)
Formula: C48H78NO9P (843.5414)
-0.35 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062723 Unavailable 844.5429 844.5429 ~ 844.5429
MzDiff: none
PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211694)
Formula: C48H78NO9P (843.5414)
-0.35 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 14 Sample Hits
Metabolite Species Sample
PGP(a-13:0/i-22:0)

Formula: C41H82O13P2 (844.523)
Adducts: [M-H2O+NH4]+ (Ppm: 3.9)
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.

m/z_844.5439

Formula: - (n/a)
Adducts: (Ppm: 0)
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_844.5442

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).

PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C48H78NO9P (843.5414)
Adducts: [M+H]+ (Ppm: 2.9)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description

PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C48H78NO9P (843.5414)
Adducts: [M+H]+ (Ppm: 5.1)
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_844.5385

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_844.5467

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

Description

PGP(a-13:0/i-22:0)

Formula: C41H82O13P2 (844.523)
Adducts: [M-H2O+NH4]+ (Ppm: 1.9)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

PGP(a-13:0/i-22:0)

Formula: C41H82O13P2 (844.523)
Adducts: [M-H2O+NH4]+ (Ppm: 2.2)
Homo sapiens (esophagus)
LNTO22_2_1
Resolution: 75μm, 89x88

Description

PC(18:3(6Z,9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C48H78NO9P (843.5414)
Adducts: [M+H]+ (Ppm: 6.8)
Mus musculus (brain)
Brain01_Bregma1-42_02_centroid
Resolution: 17μm, 434x258

Description

PA(22:1(13Z)/6 keto-PGF1alpha)

Formula: C45H81O12P (844.5465)
Adducts: [M]+ (Ppm: 3.3)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

PGP(a-13:0/i-22:0)

Formula: C41H82O13P2 (844.523)
Adducts: [M-H2O+NH4]+ (Ppm: 3.7)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

PG(18:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C44H77O13P (844.5102)
Adducts: [M-H2O+NH4]+ (Ppm: 10.8)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

PGP(a-13:0/i-22:0)

Formula: C41H82O13P2 (844.523)
Adducts: [M-H2O+NH4]+ (Ppm: 3)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description