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 13 Reference Ions Near m/z 820.5061
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006303 Reliable 820.5118 820.5117 ~ 820.5119
MzDiff: 0.9 ppm
PS(15:0/PGF2alpha) (BioDeep_00000206032)
Formula: C41H74NO13P (819.4898)
8.48 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000006900 Reliable 820.5053 820.5051 ~ 820.5054
MzDiff: 1.1 ppm
PE-NMe(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000105632)
Formula: C46H72NO8P (797.4995)
6.89 (18%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000047301 Unreliable 820.5138 820.5138 ~ 820.5138
MzDiff: none
Vinaginsenoside R14 (BioDeep_00000020715)
Formula: C41H70O15 (802.4714)
2.42 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047409 Unreliable 820.5061 820.5061 ~ 820.5061
MzDiff: none
PS(15:0/PGF2alpha) (BioDeep_00000206032)
Formula: C41H74NO13P (819.4898)
2.31 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000052325 Unreliable 820.5067 820.5067 ~ 820.5067
MzDiff: none
PS(15:0/PGF2alpha) (BioDeep_00000206032)
Formula: C41H74NO13P (819.4898)
2.19 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052636 Unreliable 820.5006 820.5006 ~ 820.5006
MzDiff: none
Not Annotated 0.98 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000009210 Unreliable 820.5159 820.5159 ~ 820.5159
MzDiff: none
PE(18:2(9Z,12Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000186466)
Formula: C45H74NO10P (819.505)
2.92 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009213 Unreliable 820.5071 820.5071 ~ 820.5071
MzDiff: none
PS(15:0/PGF2alpha) (BioDeep_00000206032)
Formula: C41H74NO13P (819.4898)
2.91 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000009214 Unreliable 820.4981 820.4981 ~ 820.4981
MzDiff: none
Pouoside D (BioDeep_00000301757)
Formula: C44H68O14 (820.4609)
2.89 (100%) Mus musculus
[UBERON:0004645] urinary bladder urothelium
MSI_000000424 Unavailable 820.4981 820.4981 ~ 820.4981
MzDiff: none
Pouoside D (BioDeep_00000301757)
Formula: C44H68O14 (820.4609)
-0.02 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000434 Unavailable 820.5071 820.5071 ~ 820.5071
MzDiff: none
PS(15:0/PGF2alpha) (BioDeep_00000206032)
Formula: C41H74NO13P (819.4898)
-0.08 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000000439 Unavailable 820.5159 820.5159 ~ 820.5159
MzDiff: none
PE(18:2(9Z,12Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioDeep_00000186466)
Formula: C45H74NO10P (819.505)
-0.1 (100%) Mus musculus
[CL:0000066] epithelial cell
MSI_000044283 Unreliable 820.513 820.513 ~ 820.513
MzDiff: none
Not Annotated 0.31 (0%) Rattus norvegicus
[UBERON:0002264] olfactory bulb

Found 9 Sample Hits
Metabolite Species Sample
PS(15:0/PGF2alpha)

Formula: C41H74NO13P (819.4898)
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.

m/z_820.5054

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_18
Resolution: 17μm, 208x104

Description

m/z_820.5053

Formula: - (n/a)
Adducts: (Ppm: 0)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

PE-NMe(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H72NO8P (797.4995)
Adducts: [M+Na]+ (Ppm: 19.7)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

PS(15:0/PGF2alpha)

Formula: C41H74NO13P (819.4898)
Adducts: [M+H]+ (Ppm: 11.1)
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).

PS(15:0/PGF2alpha)

Formula: C41H74NO13P (819.4898)
Adducts: [M+H]+ (Ppm: 13)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description

PE-NMe(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C46H72NO8P (797.4995)
Adducts: [M+Na]+ (Ppm: 15.7)
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/PGF2alpha)

Formula: C41H74NO13P (819.4898)
Adducts: [M+H]+ (Ppm: 11.8)
Homo sapiens (colorectal adenocarcinoma)
439TopL, 409TopR, 429BottomL, 419BottomR-profile
Resolution: 17μm, 157x136

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).

m/z_820.5037

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description