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 746.5224
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000043125 Reliable 746.5153 746.515 ~ 746.5159
MzDiff: 3.9 ppm
PE(P-16:0/20:4) (BioDeep_00000031952)
Formula: C41H74NO7P (723.5203)
10.62 (60%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043835 Reliable 746.5153 746.515 ~ 746.5159
MzDiff: 3.9 ppm
PE(P-16:0/20:4) (BioDeep_00000031952)
Formula: C41H74NO7P (723.5203)
7.69 (64%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000043259 Reliable 746.5146 746.5141 ~ 746.5149
MzDiff: 3.5 ppm
PE(P-16:0/20:4) (BioDeep_00000031952)
Formula: C41H74NO7P (723.5203)
7.27 (62%) Homo sapiens
[UBERON:0001043] esophagus
MSI_000046967 Unreliable 746.5156 746.5156 ~ 746.5156
MzDiff: none
2-[[2-[[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate (BioDeep_00000175799)
Formula: C44H67N5O5 (745.5142)
3.09 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047058 Unreliable 746.5224 746.5224 ~ 746.5224
MzDiff: none
PC(14:0/18:1(12Z)-O(9S,10R)) (BioDeep_00000210636)
Formula: C40H76NO9P (745.5257)
2.91 (100%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000047292 Unreliable 746.5293 746.5293 ~ 746.5293
MzDiff: none
Not Annotated 2.42 (0%) Homo sapiens
[UBERON:0013067] colorectal mucosa
MSI_000051791 Unreliable 746.5153 746.5153 ~ 746.5153
MzDiff: none
2-[[2-[[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate (BioDeep_00000175799)
Formula: C44H67N5O5 (745.5142)
2.45 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000051954 Unreliable 746.5221 746.5221 ~ 746.5221
MzDiff: none
PC(14:0/18:1(12Z)-O(9S,10R)) (BioDeep_00000210636)
Formula: C40H76NO9P (745.5257)
2.37 (100%) Homo sapiens
[UBERON:0001052] rectum
MSI_000052460 Unreliable 746.529 746.529 ~ 746.529
MzDiff: none
Not Annotated 1.99 (0%) Homo sapiens
[UBERON:0001052] rectum
MSI_000065302 Unreliable 746.514 746.514 ~ 746.514
MzDiff: none
PE(P-16:0/20:4) (BioDeep_00000031952)
Formula: C41H74NO7P (723.5203)
2.54 (100%) Homo sapiens
[UBERON:0001155] colon
MSI_000056173 Unavailable 746.5162 746.5162 ~ 746.5162
MzDiff: none
PE(P-16:0/20:4) (BioDeep_00000031952)
Formula: C41H74NO7P (723.5203)
-0.57 (100%) Homo sapiens
[UBERON:0007779] transudate

Found 5 Sample Hits
Metabolite Species Sample
2-[[2-[[(6Z,9Z,12Z)-Octadeca-6,9,12-trienoyl]amino]-6-oxo-3H-purin-9-yl]methoxy]ethyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate

Formula: C44H67N5O5 (745.5142)
Adducts: [M+H]+ (Ppm: 10)
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.

PC(14:0/18:1(12Z)-O(9S,10R))

Formula: C40H76NO9P (745.5257)
Adducts: [M+H]+ (Ppm: 14.2)
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).

PC(14:0/18:1(12Z)-O(9S,10R))

Formula: C40H76NO9P (745.5257)
Adducts: [M+H]+ (Ppm: 14)
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).

PC(14:0/18:1(12Z)-O(9S,10R))

Formula: C40H76NO9P (745.5257)
Adducts: [M+H]+ (Ppm: 14.6)
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).

PC(14:0/18:1(12Z)-O(9S,10R))

Formula: C40H76NO9P (745.5257)
Adducts: [M+H]+ (Ppm: 16.1)
Homo sapiens (NA)
160TopL,130TopR,150BottomL,140BottomR-profile
Resolution: 17μm, 142x136

Description