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 19 Reference Ions Near m/z 846.5568
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006162 Reliable 846.5536 846.5532 ~ 846.5539
MzDiff: 2.9 ppm
PC(18:2(9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211590)
Formula: C48H80NO9P (845.557)
11.1 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000055661 Reliable 846.5604 846.5602 ~ 846.5606
MzDiff: 1.7 ppm
PC(18:2(9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211590)
Formula: C48H80NO9P (845.557)
4.62 (69%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000020240 Reliable 846.5604 846.5601 ~ 846.5606
MzDiff: 2.1 ppm
PA(24:1(15Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000191453)
Formula: C49H83O9P (846.5774)
6.27 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000047574 Unreliable 846.5529 846.5529 ~ 846.5529
MzDiff: none
Sodium aluminium phosphate (BioDeep_00000228359)
Formula: Al3NaO32P8 (863.5618)
2.23 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000009165 Unreliable 846.5491 846.5491 ~ 846.5491
MzDiff: none
PS(18:0/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000206356)
Formula: C44H80NO12P (845.5418)
3.01 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009167 Unreliable 846.5585 846.5585 ~ 846.5585
MzDiff: none
PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)) (BioDeep_00000108954)
Formula: C48H79O10P (846.5411)
3.01 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000021394 Unreliable 846.5568 846.5568 ~ 846.5568
MzDiff: none
PC(18:2(9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211590)
Formula: C48H80NO9P (845.557)
0.99 (100%) Mus musculus
[UBERON:0001499] muscle of arm
MSI_000065304 Unreliable 846.5602 846.5602 ~ 846.5602
MzDiff: none
PC(18:2(9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211590)
Formula: C48H80NO9P (845.557)
2.45 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000000455 Unavailable 846.5491 846.5491 ~ 846.5491
MzDiff: none
PS(18:0/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000206356)
Formula: C44H80NO12P (845.5418)
-0.17 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000461 Unavailable 846.5585 846.5585 ~ 846.5585
MzDiff: none
PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)) (BioDeep_00000108954)
Formula: C48H79O10P (846.5411)
-0.19 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000028099 Unreliable 846.5594 846.5594 ~ 846.5594
MzDiff: none
PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)) (BioDeep_00000108954)
Formula: C48H79O10P (846.5411)
1.99 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028204 Unreliable 846.5496 846.5496 ~ 846.5496
MzDiff: none
PS(18:0/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000206356)
Formula: C44H80NO12P (845.5418)
1.71 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000029687 Unavailable 846.5594 846.5594 ~ 846.5594
MzDiff: none
PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)) (BioDeep_00000108954)
Formula: C48H79O10P (846.5411)
-0.11 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000030928 Unreliable 846.5496 846.5496 ~ 846.5496
MzDiff: none
PS(18:0/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000206356)
Formula: C44H80NO12P (845.5418)
0.56 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031869 Unavailable 846.5594 846.5594 ~ 846.5594
MzDiff: none
PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)) (BioDeep_00000108954)
Formula: C48H79O10P (846.5411)
-0.24 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000044393 Unavailable 846.5491 846.5491 ~ 846.5491
MzDiff: none
PC(18:2(9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211590)
Formula: C48H80NO9P (845.557)
-0.13 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb
MSI_000061592 Unavailable 846.554 846.554 ~ 846.554
MzDiff: none
PC(18:2(9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211590)
Formula: C48H80NO9P (845.557)
-0.35 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000062368 Unavailable 846.554 846.554 ~ 846.554
MzDiff: none
PC(18:2(9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211590)
Formula: C48H80NO9P (845.557)
-0.35 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062801 Unavailable 846.554 846.554 ~ 846.554
MzDiff: none
PC(18:2(9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000211590)
Formula: C48H80NO9P (845.557)
-0.35 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 12 Sample Hits
Metabolite Species Sample
PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))

Formula: C48H79O10P (846.5411)
Adducts: [M-H2O+NH4]+ (Ppm: 6.9)
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_846.5599

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

PC(18:2(9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C48H80NO9P (845.557)
Adducts: [M+H]+ (Ppm: 8.9)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))

Formula: C48H79O10P (846.5411)
Adducts: [M-H2O+NH4]+ (Ppm: 5.8)
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_846.5603

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

Sodium aluminium phosphate

Formula: Al3NaO32P8 (863.5618)
Adducts: [M+H-H2O]+ (Ppm: 6.6)
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(18:2(9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C48H80NO9P (845.557)
Adducts: [M+H]+ (Ppm: 4.5)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PC(18:2(9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C48H80NO9P (845.557)
Adducts: [M+H]+ (Ppm: 4.9)
Homo sapiens (esophagus)
LNTO22_1_5
Resolution: 75μm, 135x94

Description

PC(18:2(9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C48H80NO9P (845.557)
Adducts: [M+H]+ (Ppm: 5.8)
Homo sapiens (colorectal adenocarcinoma)
240TopL, 210TopR, 230BottomL, 220BottomR-centroid
Resolution: 50μm, 142x141

Description

PC(18:2(9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C48H80NO9P (845.557)
Adducts: [M+H]+ (Ppm: 4.9)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

Sodium aluminium phosphate

Formula: Al3NaO32P8 (863.5618)
Adducts: [M+H-H2O]+ (Ppm: 0.8)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

PC(18:2(9Z,12Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C48H80NO9P (845.557)
Adducts: [M+H]+ (Ppm: 5.6)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description