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 8 Reference Ions Near m/z 858.6093
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000020259 Reliable 858.6125 858.6124 ~ 858.6129
MzDiff: 2.1 ppm
PE(22:0/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioDeep_00000208752)
Formula: C47H88NO10P (857.6146)
5.88 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000020256 Reliable 858.5997 858.5995 ~ 858.6
MzDiff: 2.3 ppm
PC(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000029614)
Formula: C50H84NO8P (857.5934)
8.62 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000021100 Reliable 858.6003 858.6 ~ 858.6006
MzDiff: 2.3 ppm
PC(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (BioDeep_00000029614)
Formula: C50H84NO8P (857.5934)
4.95 (100%) Rattus norvegicus
[UBERON:0004359] corpus epididymis
MSI_000029030 Unreliable 858.5997 858.5997 ~ 858.5997
MzDiff: none
Not Annotated 0 (0%) Macropus giganteus
[UBERON:0001891] midbrain
MSI_000030950 Unreliable 858.6093 858.6093 ~ 858.6093
MzDiff: none
PA(24:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000191309)
Formula: C47H85O10P (840.588)
0.48 (100%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031040 Unreliable 858.5997 858.5997 ~ 858.5997
MzDiff: none
Not Annotated 0.21 (0%) Macropus giganteus
[UBERON:0003027] cingulate cortex
MSI_000031387 Unreliable 858.6093 858.6093 ~ 858.6093
MzDiff: none
PA(24:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000191309)
Formula: C47H85O10P (840.588)
1 (100%) Macropus giganteus
[UBERON:0006093] precuneus cortex
MSI_000031398 Unreliable 858.5997 858.5997 ~ 858.5997
MzDiff: none
Not Annotated 0.94 (0%) Macropus giganteus
[UBERON:0006093] precuneus cortex

Found 5 Sample Hits
Metabolite Species Sample
PE(22:0/20:3(8Z,11Z,14Z)-2OH(5,6))

Formula: C47H88NO10P (857.6146)
Adducts: [M+H]+ (Ppm: 19.6)
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_858.6028

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

PA(24:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C47H85O10P (840.588)
Adducts: [M+NH4]+ (Ppm: 14.6)
Macropus giganteus (Brain)
170321_kangaroobrain-dan3-pos_maxof50.0_med1
Resolution: 50μm, 81x50

Description

Sample information Organism: Macropus giganteus (kangaroo) Organism part: Brain Condition: Wildtype Sample growth conditions: Wild

PC(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C50H84NO8P (857.5934)
Adducts: [M+H]+ (Ppm: 4.8)
Homo sapiens (esophagus)
LNTO22_1_3
Resolution: 75μm, 121x68

Description

PC(20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

Formula: C50H84NO8P (857.5934)
Adducts: [M+H]+ (Ppm: 12.6)
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).