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 8 Reference Ions Near m/z 824.5173
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000007082 Unreliable 824.5253 824.525 ~ 824.5254
MzDiff: 1.6 ppm
PA(22:1(13Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000190720)
Formula: C45H77O11P (824.5203)
5.49 (80%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000052334 Unreliable 824.5113 824.5113 ~ 824.5113
MzDiff: none
Not Annotated 2.18 (%) Homo sapiens
[UBERON:0001052] rectum
MSI_000047585 Unreliable 824.5131 824.5131 ~ 824.5131
MzDiff: none
PE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000105861)
Formula: C48H74NO8P (823.5152)
2.22 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052562 Unreliable 824.5232 824.5232 ~ 824.5232
MzDiff: none
PE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000105861)
Formula: C48H74NO8P (823.5152)
1.62 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000009011 Unreliable 824.5173 824.5173 ~ 824.5173
MzDiff: none
PS(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000206182)
Formula: C44H74NO11P (823.4999)
3.15 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009130 Unreliable 824.5262 824.5262 ~ 824.5262
MzDiff: none
Mycobactin J (BioDeep_00000181154)
Formula: C45H71N5O10 (841.5201)
3.05 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000701 Unavailable 824.5173 824.5173 ~ 824.5173
MzDiff: none
PS(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000206182)
Formula: C44H74NO11P (823.4999)
-0.56 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000788 Unavailable 824.5262 824.5262 ~ 824.5262
MzDiff: none
Mycobactin J (BioDeep_00000181154)
Formula: C45H71N5O10 (841.5201)
-0.6 (100%) Mus musculus
[CL:0000066] epithelial cell

Found 4 Sample Hits
Metabolite Species Sample
PS(16:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C44H74NO11P (823.4999)
Adducts: [M+H]+ (Ppm: 12.3)
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]+ (Ppm: 6.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

PC(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))

Formula: C46H76NO8P (801.5308)
Adducts: [M+Na]+ (Ppm: 14)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

PE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C48H74NO8P (823.5152)
Adducts: [M+H]+ (Ppm: 11.3)
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).