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 15 Reference Ions Near m/z 836.6431
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000006884 Reliable 836.6366 836.6363 ~ 836.637
MzDiff: 3.0 ppm
PE(20:2(11Z,14Z)/24:1(15Z)) (BioDeep_00000030519)
Formula: C49H92NO8P (853.656)
6.11 (80%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000006639 Reliable 836.6432 836.6431 ~ 836.6435
MzDiff: 1.6 ppm
PA(22:4(7Z,10Z,13Z,16Z)/24:0) (BioDeep_00000107703)
Formula: C49H89O8P (836.6295)
5.32 (100%) Rattus norvegicus
[UBERON:0004358] caput epididymis
MSI_000020770 836.6366 836.6363 ~ 836.637
MzDiff: 2.7 ppm
PE(20:2(11Z,14Z)/24:1(15Z)) (BioDeep_00000030519)
Formula: C49H92NO8P (853.656)
3.72 (83%) Rattus norvegicus
[UBERON:0004360] cauda epididymis
MSI_000061684 Unavailable 836.6406 836.6406 ~ 836.6406
MzDiff: none
PA(24:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000191327)
Formula: C45H87O10P (818.6037)
-0.82 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000002758 Unavailable 836.6387 836.6387 ~ 836.6387
MzDiff: none
PA(24:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000191327)
Formula: C45H87O10P (818.6037)
-0.41 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003415 Unavailable 836.6387 836.6387 ~ 836.6387
MzDiff: none
PA(24:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000191327)
Formula: C45H87O10P (818.6037)
-0.41 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000004725 Unreliable 836.6387 836.6387 ~ 836.6387
MzDiff: none
PA(24:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000191327)
Formula: C45H87O10P (818.6037)
2.44 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005670 Unavailable 836.6387 836.6387 ~ 836.6387
MzDiff: none
PA(24:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000191327)
Formula: C45H87O10P (818.6037)
-0.43 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000026806 Unreliable 836.6486 836.6486 ~ 836.6486
MzDiff: none
PA(24:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000191327)
Formula: C45H87O10P (818.6037)
1.79 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000026989 Unreliable 836.6513 836.6513 ~ 836.6513
MzDiff: none
PA(24:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000191327)
Formula: C45H87O10P (818.6037)
1.78 (100%) Mus musculus
[UBERON:0002048] lung
MSI_000059108 Unavailable 836.638 836.638 ~ 836.638
MzDiff: none
PA(24:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000191327)
Formula: C45H87O10P (818.6037)
-0.7 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000059497 Unreliable 836.638 836.638 ~ 836.638
MzDiff: none
PA(24:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000191327)
Formula: C45H87O10P (818.6037)
1.15 (100%) Mus musculus
[UBERON:0002298] brainstem
MSI_000060714 Unavailable 836.638 836.638 ~ 836.638
MzDiff: none
PA(24:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000191327)
Formula: C45H87O10P (818.6037)
-0.45 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000062435 Unavailable 836.641 836.641 ~ 836.641
MzDiff: none
PA(24:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000191327)
Formula: C45H87O10P (818.6037)
-0.36 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000062521 Unreliable 836.6406 836.6406 ~ 836.6406
MzDiff: none
PA(24:0/18:1(12Z)-2OH(9,10)) (BioDeep_00000191327)
Formula: C45H87O10P (818.6037)
2.04 (100%) Mus musculus
[UBERON:0002421] hippocampal formation

Found 8 Sample Hits
Metabolite Species Sample
PA(24:0/18:1(12Z)-2OH(9,10))

Formula: C45H87O10P (818.6037)
Adducts: [M+NH4]+ (Ppm: 1.5)
Rattus norvegicus (Brain)
Spectroswiss - sol_2x_br_2
Resolution: 17μm, 488x193

Description

PA(22:4(7Z,10Z,13Z,16Z)/24:0)

Formula: C49H89O8P (836.6295)
Adducts: [M-H2O+NH4]+ (Ppm: 11.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_46
Resolution: 17μm, 298x106

Description

PA(22:4(7Z,10Z,13Z,16Z)/24:0)

Formula: C49H89O8P (836.6295)
Adducts: [M-H2O+NH4]+ (Ppm: 11.5)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_47
Resolution: 17μm, 301x111

Description

PA(22:4(7Z,10Z,13Z,16Z)/24:0)

Formula: C49H89O8P (836.6295)
Adducts: [M-H2O+NH4]+ (Ppm: 11.6)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito08_48
Resolution: 17μm, 294x107

Description

PA(22:4(7Z,10Z,13Z,16Z)/24:0)

Formula: C49H89O8P (836.6295)
Adducts: [M-H2O+NH4]+ (Ppm: 11.2)
Rattus norvegicus (Epididymis)
epik_dhb_head_ito03_14
Resolution: 17μm, 205x103

Description

PA(24:0/18:1(12Z)-2OH(9,10))

Formula: C45H87O10P (818.6037)
Adducts: [M+NH4]+ (Ppm: 14.1)
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(24:0/18:1(12Z)-2OH(9,10))

Formula: C45H87O10P (818.6037)
Adducts: [M+NH4]+ (Ppm: 13.3)
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.

PA(24:0/18:1(12Z)-2OH(9,10))

Formula: C45H87O10P (818.6037)
Adducts: [M+NH4]+ (Ppm: 4.2)
Mus musculus (brain)
Brain01_Bregma1-42_02_centroid
Resolution: 17μm, 434x258

Description