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 11 Reference Ions Near m/z 860.5322
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043255 Reliable 860.5403 860.5401 ~ 860.5404
MzDiff: 1.4 ppm
PS(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000105161)
Formula: C48H78NO10P (859.5363)
11.15 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043737 Reliable 860.5385 860.5381 ~ 860.539
MzDiff: 3.7 ppm
PS(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000105161)
Formula: C48H78NO10P (859.5363)
9.07 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043214 Reliable 860.5375 860.537 ~ 860.538
MzDiff: 4.0 ppm
PS(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000105161)
Formula: C48H78NO10P (859.5363)
5.36 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000065343 Unreliable 860.5385 860.5381 ~ 860.5387
MzDiff: 2.4 ppm
PS(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000105161)
Formula: C48H78NO10P (859.5363)
3.62 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000043576 Unreliable 860.5259 860.5259 ~ 860.5259
MzDiff: none
PE(15:0/LTE4) (BioDeep_00000185808)
Formula: C43H77N2O11PS (860.4985)
1.44 (100%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000056871 Unreliable 860.5383 860.5381 ~ 860.5387
MzDiff: 2.6 ppm
PS(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000105161)
Formula: C48H78NO10P (859.5363)
0.87 (100%) Homo sapiens
[UBERON:0007779] transudate
MSI_000047495 Unreliable 860.5286 860.5286 ~ 860.5286
MzDiff: none
PG(20:3(5Z,8Z,11Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000194771)
Formula: C48H77O11P (860.5203)
2.26 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047628 Unreliable 860.5372 860.5372 ~ 860.5372
MzDiff: none
PS(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000105161)
Formula: C48H78NO10P (859.5363)
2.21 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051889 Unreliable 860.5363 860.5363 ~ 860.5363
MzDiff: none
PS(18:0/PGE2) (BioDeep_00000206338)
Formula: C44H78NO13P (859.5211)
2.39 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000051975 Unreliable 860.5281 860.5281 ~ 860.5281
MzDiff: none
PG(20:3(5Z,8Z,11Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (BioDeep_00000194771)
Formula: C48H77O11P (860.5203)
2.37 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000056336 Unavailable 860.5417 860.5417 ~ 860.5417
MzDiff: none
PS(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) (BioDeep_00000105161)
Formula: C48H78NO10P (859.5363)
-0.67 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 13 Sample Hits
Metabolite Species Sample
PS(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))

Formula: C48H78NO10P (859.5363)
Adducts: [M+H]+ (Ppm: 8.7)
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(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))

Formula: C48H78NO10P (859.5363)
Adducts: [M+H]+ (Ppm: 12.2)
Mus musculus (Lung)
image5
Resolution: 40μm, 163x183

Description

Supplementary Figure S8. MALDI-MSI data of mouse lung tissue administered with D9-choline and U 13C-DPPC–containing Poractant alfa surfactant (labels administered 18 h prior to sacrifice). 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-DPPC+Na]+ (red) and [D9-PC32:0+Na]+ (green). Parts per million (ppm) mass errors are indicated in parentheses. All images were visualised using totalion-current normalisation and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0.

PS(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))

Formula: C48H78NO10P (859.5363)
Adducts: [M+H]+ (Ppm: 9.5)
Homo sapiens (esophagus)
LNTO22_1_4
Resolution: 17μm, 82x80

Description

PS(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))

Formula: C48H78NO10P (859.5363)
Adducts: [M+H]+ (Ppm: 7.5)
Homo sapiens (esophagus)
TO42T
Resolution: 17μm, 69x81

Description

PS(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))

Formula: C48H78NO10P (859.5363)
Adducts: [M+H]+ (Ppm: 7.6)
Homo sapiens (esophagus)
TO39T
Resolution: 17μm, 69x81

Description

PG(20:3(5Z,8Z,11Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C48H77O11P (860.5203)
Adducts: [M]+ (Ppm: 10.3)
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).

PE(15:0/LTE4)

Formula: C43H77N2O11PS (860.4985)
Adducts: [M-H2O+NH4]+ (Ppm: 12)
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).

PG(20:3(5Z,8Z,11Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

Formula: C48H77O11P (860.5203)
Adducts: [M]+ (Ppm: 9.7)
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).

PS(18:0/PGE2)

Formula: C44H78NO13P (859.5211)
Adducts: [M+H]+ (Ppm: 4.5)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description

PS(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))

Formula: C48H78NO10P (859.5363)
Adducts: [M+H]+ (Ppm: 4.4)
Homo sapiens (esophagus)
LNTO26_7_3
Resolution: 75μm, 82x88

Description

PS(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))

Formula: C48H78NO10P (859.5363)
Adducts: [M+H]+ (Ppm: 5.3)
Homo sapiens (esophagus)
TO31T
Resolution: 75μm, 56x54

Description

PS(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))

Formula: C48H78NO10P (859.5363)
Adducts: [M+H]+ (Ppm: 5.9)
Homo sapiens (esophagus)
LNTO30_17_2
Resolution: 75μm, 82x54

Description

PS(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z))

Formula: C48H78NO10P (859.5363)
Adducts: [M+H]+ (Ppm: 6.8)
Homo sapiens (colorectal adenocarcinoma)
160TopL,130TopR,150BottomL,140BottomR-centroid
Resolution: 50μm, 142x136

Description