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 858.5141
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043229 Reliable 858.5225 858.522 ~ 858.523
MzDiff: 3.9 ppm
PS(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000032646)
Formula: C48H76NO10P (857.5207)
18.47 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000057820 Reliable 858.5225 858.5221 ~ 858.523
MzDiff: 3.9 ppm
PS(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000032646)
Formula: C48H76NO10P (857.5207)
14.89 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043162 Reliable 858.5238 858.5236 ~ 858.5239
MzDiff: 0.9 ppm
PS(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000032646)
Formula: C48H76NO10P (857.5207)
6.96 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000051905 Unreliable 858.5082 858.5082 ~ 858.5082
MzDiff: none
PA(18:1(11Z)/LTE4) (BioDeep_00000188711)
Formula: C44H76NO11PS (857.4876)
2.39 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000047312 Unreliable 858.5108 858.5108 ~ 858.5108
MzDiff: none
Pectenotoxin 2 (BioDeep_00000013196)
Formula: C47H70O14 (858.4765)
2.4 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051757 Unreliable 858.5169 858.5169 ~ 858.5169
MzDiff: none
Pectenotoxin 2 (BioDeep_00000013196)
Formula: C47H70O14 (858.4765)
2.48 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000047265 Unreliable 858.5194 858.5194 ~ 858.5194
MzDiff: none
PS(18:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (BioDeep_00000206384)
Formula: C44H76NO13P (857.5054)
2.46 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000065276 Unreliable 858.5218 858.5218 ~ 858.5218
MzDiff: none
PS(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000032646)
Formula: C48H76NO10P (857.5207)
1.35 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000055874 Unavailable 858.5141 858.5141 ~ 858.5141
MzDiff: none
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000018546)
Formula: C49H74NO8P (835.5152)
-0.24 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 8 Sample Hits
Metabolite Species Sample
PS(18:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C44H76NO13P (857.5054)
Adducts: [M+H]+ (Ppm: 6.1)
Mus musculus (Lung)
image3
Resolution: 40μm, 146x190

Description

Fig. 4 MALDI-MSI data of mouse lung tissue after administration with D9-choline and U13C-DPPC–containing Poractant alfa surfactant (labels administered 12 h prior to tissue collection). Ion images of (A) m/z 796.6856 ([U13C-DPPC+Na]+), (B) m/z 756.5154 [PC32:0+Na]+), and (C) m/z 765.6079 ([D9-PC32:0+Na]+). D: Overlay image of [U13C-PC32:0+Na]+ (red) and [D9-PC32:0+Na]+ (green). Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.

PS(20:3(8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C48H76NO10P (857.5207)
Adducts: [M+H]+ (Ppm: 6.3)
Homo sapiens (esophagus)
LNTO29_16_2
Resolution: 17μm, 95x101

Description

Pectenotoxin 2

Formula: C47H70O14 (858.4765)
Adducts: [M-H2O+NH4]+ (Ppm: 12.8)
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).

Pectenotoxin 2

Formula: C47H70O14 (858.4765)
Adducts: [M-H2O+NH4]+ (Ppm: 12.1)
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(18:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

Formula: C44H76NO13P (857.5054)
Adducts: [M+H]+ (Ppm: 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).

Pectenotoxin 2

Formula: C47H70O14 (858.4765)
Adducts: [M-H2O+NH4]+ (Ppm: 19.9)
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).

Pectenotoxin 2

Formula: C47H70O14 (858.4765)
Adducts: [M-H2O+NH4]+ (Ppm: 14.8)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

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

Formula: C49H74NO8P (835.5152)
Adducts: [M+Na]+ (Ppm: 11.3)
Homo sapiens (esophagus)
LNTO26_7_2
Resolution: 17μm, 135x101

Description