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 15 Reference Ions Near m/z 849.5786
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006730 Reliable 849.5725 849.5721 ~ 849.573
MzDiff: 3.6 ppm
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:0) (BioDeep_00000182694)
Formula: C47H80NO10P (849.552)
11.8 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000043582 Unreliable 849.5852 849.5852 ~ 849.5852
MzDiff: none
PA(24:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000191349)
Formula: C49H85O9P (848.5931)
1.43 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000009275 Unreliable 849.5721 849.5721 ~ 849.5721
MzDiff: none
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:0) (BioDeep_00000182694)
Formula: C47H80NO10P (849.552)
1.67 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009281 Unreliable 849.5814 849.5814 ~ 849.5814
MzDiff: none
PS(20:0/18:1(12Z)-O(9S,10R)) (BioDeep_00000207097)
Formula: C44H82NO11P (831.5625)
1.52 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000184 Unreliable 849.5814 849.5814 ~ 849.5814
MzDiff: none
PS(20:0/18:1(12Z)-O(9S,10R)) (BioDeep_00000207097)
Formula: C44H82NO11P (831.5625)
1.69 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000209 Unreliable 849.5721 849.5721 ~ 849.5721
MzDiff: none
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:0) (BioDeep_00000182694)
Formula: C47H80NO10P (849.552)
1.54 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000028131 Unreliable 849.5706 849.5706 ~ 849.5706
MzDiff: none
Phosphatidylinositols,soya (BioDeep_00000175472)
Formula: C45H87O13P (866.5884)
1.89 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028267 Unreliable 849.5786 849.5786 ~ 849.5786
MzDiff: none
PC(DiMe(11,3)/DiMe(11,3)) (BioDeep_00000054541)
Formula: C48H85NO10P (866.5911)
1.58 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000028765 Unreliable 849.5861 849.5861 ~ 849.5861
MzDiff: none
PS(20:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000207095)
Formula: C44H84NO12P (849.5731)
0.4 (100%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000030875 Unreliable 849.5861 849.5861 ~ 849.5861
MzDiff: none
PS(20:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000207095)
Formula: C44H84NO12P (849.5731)
0.72 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000030942 Unreliable 849.5706 849.5706 ~ 849.5706
MzDiff: none
Phosphatidylinositols,soya (BioDeep_00000175472)
Formula: C45H87O13P (866.5884)
0.51 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031891 Unavailable 849.5786 849.5786 ~ 849.5786
MzDiff: none
PC(DiMe(11,3)/DiMe(11,3)) (BioDeep_00000054541)
Formula: C48H85NO10P (866.5911)
-0.26 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000061626 Unavailable 849.5748 849.5748 ~ 849.5748
MzDiff: none
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:0) (BioDeep_00000182694)
Formula: C47H80NO10P (849.552)
-0.35 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000062332 Unavailable 849.5748 849.5748 ~ 849.5748
MzDiff: none
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:0) (BioDeep_00000182694)
Formula: C47H80NO10P (849.552)
-0.35 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062766 Unavailable 849.5748 849.5748 ~ 849.5748
MzDiff: none
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:0) (BioDeep_00000182694)
Formula: C47H80NO10P (849.552)
-0.35 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 7 Sample Hits
Metabolite Species Sample
PS(20:0/18:1(12Z)-O(9S,10R))

Formula: C44H82NO11P (831.5625)
Adducts: [M+NH4]+ (Ppm: 17.6)
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.

PS(20:0/18:1(12Z)-O(9S,10R))

Formula: C44H82NO11P (831.5625)
Adducts: [M+NH4]+ (Ppm: 19.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

m/z_849.5771

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

Description

m/z_849.5789

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

m/z_849.5787

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

PC(DiMe(11,3)/DiMe(11,3))

Formula: C48H85NO10P (866.5911)
Adducts: [M+H-H2O]+ (Ppm: 10.8)
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

PI(16:0/20:0)

Formula: C45H87O13P (866.5884)
Adducts: [M+H-H2O]+ (Ppm: 3)
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).