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 9 Reference Ions Near m/z 825.5415
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000055632 Unreliable 825.5499 825.5495 ~ 825.55
MzDiff: 2.0 ppm
PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018558)
Formula: C44H74NO10P (807.505)
1.76 (80%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000020501 Unreliable 825.5478 825.5477 ~ 825.5478
MzDiff: 0.3 ppm
PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018558)
Formula: C44H74NO10P (807.505)
4.94 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000043699 Unreliable 825.5451 825.5451 ~ 825.5451
MzDiff: none
Not Annotated 1.35 (0%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000007412 Unreliable 825.5409 825.5409 ~ 825.541
MzDiff: 0.4 ppm
PA(22:1(13Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000190720)
Formula: C45H77O11P (824.5203)
3.69 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000009074 Unreliable 825.5377 825.5377 ~ 825.5377
MzDiff: none
PI(18:1/18:2) (BioDeep_00002004096)
Formula: C45H81O13P (860.5415)
3.1 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009089 Unreliable 825.5466 825.5466 ~ 825.5466
MzDiff: none
PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018558)
Formula: C44H74NO10P (807.505)
3.09 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000811 Unavailable 825.5377 825.5377 ~ 825.5377
MzDiff: none
PI(18:1/18:2) (BioDeep_00002004096)
Formula: C45H81O13P (860.5415)
-0.61 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000816 Unavailable 825.5466 825.5466 ~ 825.5466
MzDiff: none
PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018558)
Formula: C44H74NO10P (807.505)
-0.61 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000026783 Unreliable 825.5506 825.5506 ~ 825.5506
MzDiff: none
PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018558)
Formula: C44H74NO10P (807.505)
1.79 (100%) Mus musculus
[UBERON:0002048] lung

Found 12 Sample Hits
Metabolite Species Sample
PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C44H74NO10P (807.505)
Adducts: [M+NH4]+ (Ppm: 9.4)
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.

PA(22:1(13Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C45H77O11P (824.5203)
Adducts: [M+H]+ (Ppm: 16.8)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

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

Formula: C44H74NO10P (807.505)
Adducts: [M+NH4]+ (Ppm: 11.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

PA(22:1(13Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C45H77O11P (824.5203)
Adducts: [M+H]+ (Ppm: 16.8)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

PA(22:1(13Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C45H77O11P (824.5203)
Adducts: [M+H]+ (Ppm: 16.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

PA(22:1(13Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C45H77O11P (824.5203)
Adducts: [M+H]+ (Ppm: 16.1)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

PA(22:1(13Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C45H77O11P (824.5203)
Adducts: [M+H]+ (Ppm: 16.4)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_04
Resolution: 17μm, 178x91

Description

PA(22:1(13Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C45H77O11P (824.5203)
Adducts: [M+H]+ (Ppm: 16.4)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_03
Resolution: 17μm, 159x110

Description

PA(22:1(13Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C45H77O11P (824.5203)
Adducts: [M+H]+ (Ppm: 16.6)
Rattus norvegicus (normal)
epik_dhb_head_ito01_05
Resolution: 17μm, 183x105

Description

PA(22:1(13Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C45H77O11P (824.5203)
Adducts: [M+H]+ (Ppm: 16.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito01_06
Resolution: 17μm, 183x103

Description

PA(22:1(13Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C45H77O11P (824.5203)
Adducts: [M+H]+ (Ppm: 16.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_14
Resolution: 17μm, 205x103

Description

m/z_825.5451

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

Description