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 24 Reference Ions Near m/z 849.6475
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043891 Reliable 849.6453 849.6453 ~ 849.6453
MzDiff: 0.2 ppm
PS(15:0/24:1(15Z)) (BioDeep_00000104703)
Formula: C45H86NO10P (831.5989)
2.35 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000011431 Unreliable 849.6376 849.6376 ~ 849.6376
MzDiff: none
TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000049757)
Formula: C57H86O6 (866.6424)
0.35 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011434 Unreliable 849.6469 849.6469 ~ 849.6469
MzDiff: none
Halovir C (BioDeep_00000409764)
Formula: C45H83N7O8 (849.6303)
0.32 (100%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000011507 Unavailable 849.6563 849.6563 ~ 849.6563
MzDiff: none
Not Annotated -0.05 (0%) Mus musculus
[UBERON:0012378] muscle layer of urinary bladder
MSI_000043751 Unreliable 849.6555 849.6555 ~ 849.6555
MzDiff: none
Not Annotated 1.33 (0%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065491 Unreliable 849.6426 849.6426 ~ 849.6426
MzDiff: 0.2 ppm
TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000049757)
Formula: C57H86O6 (866.6424)
2.64 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000000049 Unreliable 849.6563 849.6563 ~ 849.6563
MzDiff: none
Not Annotated 2.18 (0%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000064 Unreliable 849.6469 849.6469 ~ 849.6469
MzDiff: none
Halovir C (BioDeep_00000409764)
Formula: C45H83N7O8 (849.6303)
2.13 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000067 Unreliable 849.6376 849.6376 ~ 849.6376
MzDiff: none
TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000049757)
Formula: C57H86O6 (866.6424)
2.13 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000002842 Unavailable 849.6413 849.6413 ~ 849.6413
MzDiff: none
TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000049757)
Formula: C57H86O6 (866.6424)
-0.47 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003477 Unavailable 849.6413 849.6413 ~ 849.6413
MzDiff: none
TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000049757)
Formula: C57H86O6 (866.6424)
-0.48 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000004762 Unreliable 849.6413 849.6413 ~ 849.6413
MzDiff: none
TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000049757)
Formula: C57H86O6 (866.6424)
2.2 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005698 Unavailable 849.6413 849.6413 ~ 849.6413
MzDiff: none
TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000049757)
Formula: C57H86O6 (866.6424)
-0.49 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000029088 Unreliable 849.6438 849.6438 ~ 849.6438
MzDiff: none
TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000049757)
Formula: C57H86O6 (866.6424)
2.07 (100%) Macropus giganteus
[UBERON:0002336] corpus callosum
MSI_000059167 Unavailable 849.641 849.641 ~ 849.641
MzDiff: none
TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000049757)
Formula: C57H86O6 (866.6424)
-0.79 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000059552 Unreliable 849.641 849.641 ~ 849.641
MzDiff: none
TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000049757)
Formula: C57H86O6 (866.6424)
1.12 (100%) Mus musculus
[UBERON:0002298] brainstem
MSI_000060595 Unreliable 849.6422 849.6422 ~ 849.6422
MzDiff: none
TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000049757)
Formula: C57H86O6 (866.6424)
2.4 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000061450 Unavailable 849.6422 849.6422 ~ 849.6422
MzDiff: none
TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000049757)
Formula: C57H86O6 (866.6424)
-0.17 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000062599 Unreliable 849.642 849.642 ~ 849.642
MzDiff: none
TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000049757)
Formula: C57H86O6 (866.6424)
1.9 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000063469 Unreliable 849.6422 849.6422 ~ 849.6422
MzDiff: none
TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000049757)
Formula: C57H86O6 (866.6424)
2.4 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000063672 Unreliable 849.6422 849.6422 ~ 849.6422
MzDiff: none
TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000049757)
Formula: C57H86O6 (866.6424)
2.4 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000064723 Unreliable 849.6422 849.6422 ~ 849.6422
MzDiff: none
TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000049757)
Formula: C57H86O6 (866.6424)
2.4 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000065022 Unreliable 849.6422 849.6422 ~ 849.6422
MzDiff: none
TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000049757)
Formula: C57H86O6 (866.6424)
2.4 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000065824 Unavailable 849.641 849.641 ~ 849.641
MzDiff: none
TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) (BioDeep_00000049757)
Formula: C57H86O6 (866.6424)
-0.33 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 9 Sample Hits
Metabolite Species Sample
Halovir C

Formula: C45H83N7O8 (849.6303)
Adducts: [M-H2O+NH4]+ (Ppm: 7.8)
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.

TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))

Formula: C57H86O6 (866.6424)
Adducts: [M+H-H2O]+ (Ppm: 5.5)
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

PS(15:0/24:1(15Z))

Formula: C45H86NO10P (831.5989)
Adducts: [M+NH4]+ (Ppm: 14.8)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PS(15:0/24:1(15Z))

Formula: C45H86NO10P (831.5989)
Adducts: [M+NH4]+ (Ppm: 15.5)
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).

PS(15:0/24:1(15Z))

Formula: C45H86NO10P (831.5989)
Adducts: [M+NH4]+ (Ppm: 14.8)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PS(15:0/24:1(15Z))

Formula: C45H86NO10P (831.5989)
Adducts: [M+NH4]+ (Ppm: 17.4)
Homo sapiens (esophagus)
LNTO22_1_8
Resolution: 75μm, 69x61

Description

TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))

Formula: C57H86O6 (866.6424)
Adducts: [M+H-H2O]+ (Ppm: 4.8)
Homo sapiens (colorectal adenocarcinoma)
200TopL, 170TopR, 190BottomL, 180BottomR-centroid
Resolution: 50μm, 132x126

Description

TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))

Formula: C57H86O6 (866.6424)
Adducts: [M+H-H2O]+ (Ppm: 4.1)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description

TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))

Formula: C57H86O6 (866.6424)
Adducts: [M+H-H2O]+ (Ppm: 4.8)
Homo sapiens (colorectal adenocarcinoma)
120TopL, 90TopR, 110BottomL, 100BottomR-centroid
Resolution: 50μm, 132x136

Description