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 476.9863
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000063357 Unreliable 476.9856 476.9856 ~ 476.9856
MzDiff: none
Ebrotidine (BioDeep_00000036542)
Formula: C14H17BrN6O2S3 (475.9758)
0.13 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000060286 Unreliable 476.9866 476.9863 ~ 476.9868
MzDiff: 2.3 ppm
Ebrotidine (BioDeep_00000036542)
Formula: C14H17BrN6O2S3 (475.9758)
0.54 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000061218 Unreliable 476.9868 476.9868 ~ 476.9868
MzDiff: 0.1 ppm
Ebrotidine (BioDeep_00000036542)
Formula: C14H17BrN6O2S3 (475.9758)
1.63 (100%) Mus musculus
[UBERON:0000956] cerebral cortex
MSI_000063465 Unreliable 476.9856 476.9856 ~ 476.9856
MzDiff: 0.1 ppm
Ebrotidine (BioDeep_00000036542)
Formula: C14H17BrN6O2S3 (475.9758)
0.11 (100%) Mus musculus
[UBERON:0002421] hippocampal formation
MSI_000002823 Unavailable 476.989 476.989 ~ 476.989
MzDiff: none
(2z)-3-(3,5-dibromo-4-hydroxyphenyl)-2-(n-hydroxyimino)-n-[2-(2-imino-1,3-dihydroimidazol-4-yl)ethyl]propanimidic acid (BioDeep_00002249514)
Formula: C14H15Br2N5O3 (458.9542)
-0.45 (100%) Rattus norvegicus
[UBERON:0001950] neocortex
MSI_000003404 Unavailable 476.989 476.989 ~ 476.989
MzDiff: none
(2z)-3-(3,5-dibromo-4-hydroxyphenyl)-2-(n-hydroxyimino)-n-[2-(2-imino-1,3-dihydroimidazol-4-yl)ethyl]propanimidic acid (BioDeep_00002249514)
Formula: C14H15Br2N5O3 (458.9542)
-0.39 (100%) Rattus norvegicus
[UBERON:0002037] cerebellum
MSI_000005102 Unavailable 476.989 476.989 ~ 476.989
MzDiff: none
(2z)-3-(3,5-dibromo-4-hydroxyphenyl)-2-(n-hydroxyimino)-n-[2-(2-imino-1,3-dihydroimidazol-4-yl)ethyl]propanimidic acid (BioDeep_00002249514)
Formula: C14H15Br2N5O3 (458.9542)
-0.52 (100%) Rattus norvegicus
[UBERON:0002298] brainstem
MSI_000005729 Unavailable 476.989 476.989 ~ 476.989
MzDiff: none
(2z)-3-(3,5-dibromo-4-hydroxyphenyl)-2-(n-hydroxyimino)-n-[2-(2-imino-1,3-dihydroimidazol-4-yl)ethyl]propanimidic acid (BioDeep_00002249514)
Formula: C14H15Br2N5O3 (458.9542)
-0.53 (100%) Rattus norvegicus
[UBERON:0002435] striatum
MSI_000025217 Unreliable 476.987 476.987 ~ 476.987
MzDiff: none
Ebrotidine (BioDeep_00000036542)
Formula: C14H17BrN6O2S3 (475.9758)
1.69 (100%) Mus musculus
[UBERON:0004269] upper arm connective tissue
MSI_000059294 Unreliable 476.9856 476.9856 ~ 476.9856
MzDiff: none
Ebrotidine (BioDeep_00000036542)
Formula: C14H17BrN6O2S3 (475.9758)
2.09 (100%) Mus musculus
[UBERON:0001950] neocortex
MSI_000059714 Unreliable 476.9863 476.9863 ~ 476.9863
MzDiff: none
Ebrotidine (BioDeep_00000036542)
Formula: C14H17BrN6O2S3 (475.9758)
0.32 (100%) Mus musculus
[UBERON:0002298] brainstem

Found 13 Sample Hits
Metabolite Species Sample
(2z)-3-(3,5-dibromo-4-hydroxyphenyl)-2-(n-hydroxyimino)-n-[2-(2-imino-1,3-dihydroimidazol-4-yl)ethyl]propanimidic acid

Formula: C14H15Br2N5O3 (458.9542)
Adducts: [M+NH4]+ (Ppm: 2.1)
Rattus norvegicus (Brain)
Spectroswiss - sol_2x_br_2
Resolution: 17μm, 488x193

Description

Ebrotidine

Formula: C14H17BrN6O2S3 (475.9758)
Adducts: [M+H]+ (Ppm: 8.1)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

Ebrotidine

Formula: C14H17BrN6O2S3 (475.9758)
Adducts: [M+H]+ (Ppm: 4.1)
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.

Ebrotidine

Formula: C14H17BrN6O2S3 (475.9758)
Adducts: [M+H]+ (Ppm: 4.4)
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.

Ebrotidine

Formula: C14H17BrN6O2S3 (475.9758)
Adducts: [M+H]+ (Ppm: 5.4)
Mus musculus (Lung)
image5
Resolution: 40μm, 163x183

Description

Supplementary Figure S8. MALDI-MSI data of mouse lung tissue administered with D9-choline and U 13C-DPPC–containing Poractant alfa surfactant (labels administered 18 h prior to sacrifice). 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-DPPC+Na]+ (red) and [D9-PC32:0+Na]+ (green). Parts per million (ppm) mass errors are indicated in parentheses. All images were visualised using totalion-current normalisation and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0.

4-Acetamido-4'-isothiocyanostilbene-2,2'-disulfonic acid

Formula: C17H14N2O7S3 (453.9963)
Adducts: [M+Na]+ (Ppm: 8.1)
Homo sapiens (esophagus)
LNTO22_1_9
Resolution: 75μm, 89x74

Description

m/z_476.9891

Formula: - (n/a)
Adducts: (Ppm: 0)
Homo sapiens (esophagus)
LNTO22_1_7
Resolution: 75μm, 69x54

Description

Ebrotidine

Formula: C14H17BrN6O2S3 (475.9758)
Adducts: [M+H]+ (Ppm: 6.7)
Mus musculus (brain)
Brain01_Bregma-3-88b_centroid
Resolution: 17μm, 265x320

Description

Ebrotidine

Formula: C14H17BrN6O2S3 (475.9758)
Adducts: [M+H]+ (Ppm: 7.7)
Mus musculus (brain)
Brain01_Bregma1-42_02_centroid
Resolution: 17μm, 434x258

Description

Ebrotidine

Formula: C14H17BrN6O2S3 (475.9758)
Adducts: [M+H]+ (Ppm: 7.7)
Mus musculus (brain)
Brain01_Bregma1-42_01_centroid
Resolution: 17μm, 447x118

Description

Ebrotidine

Formula: C14H17BrN6O2S3 (475.9758)
Adducts: [M+H]+ (Ppm: 5.2)
Mus musculus (brain)
Brain02_Bregma1-42_03
Resolution: 17μm, 483x403

Description

Ebrotidine

Formula: C14H17BrN6O2S3 (475.9758)
Adducts: [M+H]+ (Ppm: 5)
Mus musculus (brain)
Brain02_Bregma-3-88
Resolution: 17μm, 288x282

Description

Ebrotidine

Formula: C14H17BrN6O2S3 (475.9758)
Adducts: [M+H]+ (Ppm: 5.2)
Mus musculus (brain)
Brain02_Bregma-1-46
Resolution: 17μm, 294x399

Description