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 5 Reference Ions Near m/z 916.5743
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000052903 Unreliable 916.5714 916.5714 ~ 916.5714
MzDiff: none
Maduramicin (BioDeep_00000025276)
Formula: C47H80O17 (916.5395)
3.2 (100%) DESI
[NOVOCELL:BACKGROUND] blank
MSI_000003915 Unreliable 916.5698 916.5698 ~ 916.5698
MzDiff: none
PA(22:0/LTE4) (BioDeep_00000190580)
Formula: C48H86NO11PS (915.5659)
1.34 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000027073 Unreliable 916.5697 916.5697 ~ 916.5697
MzDiff: none
PA(22:0/LTE4) (BioDeep_00000190580)
Formula: C48H86NO11PS (915.5659)
1.77 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000049996 Unreliable 916.5693 916.5693 ~ 916.5693
MzDiff: none
PA(22:0/LTE4) (BioDeep_00000190580)
Formula: C48H86NO11PS (915.5659)
1.25 (100%) Mytilus edulis
[UBERON:0009120] gill filament
MSI_000050943 Unreliable 916.5693 916.5693 ~ 916.5693
MzDiff: none
PA(22:0/LTE4) (BioDeep_00000190580)
Formula: C48H86NO11PS (915.5659)
0.54 (100%) Mytilus edulis
[UBERON:2001856] gill ray

Found 9 Sample Hits
Metabolite Species Sample
PC(16:0/LTE4)

Formula: C47H85N2O11PS (916.5611)
Adducts: [M-H2O+NH4]+ (Ppm: 12)
Mus musculus (Lung)
image1
Resolution: 40μm, 187x165

Description

Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. 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. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin. Fig 1-3, Fig S1-S3, S5

m/z_916.572

Formula: - (n/a)
Adducts: (Ppm: 0)
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.

PA(22:0/LTE4)

Formula: C48H86NO11PS (915.5659)
Adducts: [M+H]+ (Ppm: 3.8)
Mus musculus (Lung)
image4
Resolution: 40μm, 162x156

Description

Fig 6c Fig. 6 MALDI-MSI of U13C-PC16:0/16:0 acyl chain remodeling. A: Averaged MALDI mass spectrum from lung tissue collected from mice euthanized 12 h after administration of D9-choline and U13C-DPPC–containing Poractant alfa surfactant. The ion at m/z 828.6321 is assigned as the [M+Na]+ ion of 13C24-PC16:0_20:4 formed by acyl remodeling of U13C-PC16:0/16:0. The “NL” value refers to the intensity of the base peak in the full range MS1 spectrum. B: MS/MS spectrum of precursor ions at m/z 828.5 ± 0.5 with fragment ions originating from [13C24-PC16:0_20:4+Na]+ annotated. Part-per-million (ppm) mass errors are provided in parentheses. C, D: MALDI-MSI data of [U13C-DPPC+Na]+ (blue), [PC36:4+Na]+ (green) and [13C24-PC16:0_20:4+Na]+ (red) in lung tissue collected from mice (C) 12 h and (D) 18 h after label administration. All images were visualized using total-ion-current normalization and hotspot removal (high quantile = 99%). MS/MS, tandem mass spectrometry; MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC.

Maduramicin

Formula: C47H80O17 (916.5395)
Adducts: [M-H2O+NH4]+ (Ppm: 9.4)
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).

PA(22:0/LTE4)

Formula: C48H86NO11PS (915.5659)
Adducts: [M+H]+ (Ppm: 4.2)
Mytilus edulis (gill)
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210
Resolution: 11μm, 305x210

Description

single cell layer class_4 is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell

PA(22:0/LTE4)

Formula: C48H86NO11PS (915.5659)
Adducts: [M+H]+ (Ppm: 3.1)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description

Maduramicin

Formula: C47H80O17 (916.5395)
Adducts: [M-H2O+NH4]+ (Ppm: 9.8)
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).

PA(22:0/LTE4)

Formula: C48H86NO11PS (915.5659)
Adducts: [M+H]+ (Ppm: 1.2)
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_916.578

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

Description