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 704.5876
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006334 Reliable 704.5784 704.5782 ~ 704.5786
MzDiff: 1.5 ppm
SM(d18:0/16:0) (BioDeep_00000018561)
Formula: C39H81N2O6P (704.5832)
8.13 (88%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000020795 Reliable 704.5784 704.5782 ~ 704.5786
MzDiff: 1.5 ppm
SM(d18:0/16:0) (BioDeep_00000018561)
Formula: C39H81N2O6P (704.5832)
5.19 (88%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000020751 Unreliable 704.5872 704.5871 ~ 704.5876
MzDiff: 2.2 ppm
CE(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000215215)
Formula: C47H76O4 (704.5743)
4.53 (100%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000004330 Unreliable 704.5779 704.5779 ~ 704.5779
MzDiff: none
SM(d18:0/16:0) (BioDeep_00000018561)
Formula: C39H81N2O6P (704.5832)
0.76 (100%) Homo sapiens
[UBERON:0002107] liver
MSI_000044843 Unavailable 704.5782 704.5782 ~ 704.5782
MzDiff: none
SM(d18:0/16:0) (BioDeep_00000018561)
Formula: C39H81N2O6P (704.5832)
-0.49 (100%) Rattus norvegicus
[UBERON:0002264] olfactory bulb

Found 6 Sample Hits
Metabolite Species Sample
CE(20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C47H76O4 (704.5743)
Adducts: [M-H2O+NH4]+ (Ppm: 14.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_43
Resolution: 17μm, 298x106

Description

CE(20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C47H76O4 (704.5743)
Adducts: [M-H2O+NH4]+ (Ppm: 14.6)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_44
Resolution: 17μm, 299x111

Description

CE(20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C47H76O4 (704.5743)
Adducts: [M-H2O+NH4]+ (Ppm: 14.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

CE(20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

Formula: C47H76O4 (704.5743)
Adducts: [M-H2O+NH4]+ (Ppm: 14.9)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

SM(d18:0/16:0)

Formula: C39H81N2O6P (704.5832)
Adducts: [M]+ (Ppm: 2.8)
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

SM(d18:0/16:0)

Formula: C39H81N2O6P (704.5832)
Adducts: [M]+ (Ppm: 3)
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.