M/Z: 392.985


Hit 2 annotations:  Bromuconazole_[M+NH4]+; Bithionol_[M+K]+


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 392.985
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000016181 Reliable 392.9783 392.9782 ~ 392.9784
MzDiff: 0.7 ppm
(2r)-3-(2,6-dibromo-4-methoxyphenyl)-2-(trimethylammonio)propanoate (BioDeep_00002149898)
Formula: C13H17Br2NO3 (392.9575)
2.27 (100%) Vitis vinifera
[PO:0009085] exocarp
MSI_000015853 Unreliable 392.9849 392.9849 ~ 392.9849
MzDiff: 0.2 ppm
Bromuconazole (BioDeep_00000001768)
Formula: C13H12BrCl2N3O (374.9541)
3.22 (100%) Vitis vinifera
[PO:0009085] exocarp
MSI_000017126 Unavailable 392.9783 392.9782 ~ 392.9784
MzDiff: 0.7 ppm
(2r)-3-(2,6-dibromo-4-methoxyphenyl)-2-(trimethylammonio)propanoate (BioDeep_00002149898)
Formula: C13H17Br2NO3 (392.9575)
-0.34 (100%) Vitis vinifera
[PO:0009086] endocarp
MSI_000013337 Unreliable 392.9781 392.9781 ~ 392.9781
MzDiff: none
MC-3761 (BioDeep_00000008475)
Formula: C14H8Cl3NO5 (374.9468)
1.5 (100%) Plant
[PO:0005417] phloem
MSI_000014751 Unavailable 392.9781 392.9781 ~ 392.9781
MzDiff: none
MC-3761 (BioDeep_00000008475)
Formula: C14H8Cl3NO5 (374.9468)
-0.34 (100%) Plant
[PO:0006036] root epidermis
MSI_000016804 Unavailable 392.9849 392.9849 ~ 392.9849
MzDiff: none
Bromuconazole (BioDeep_00000001768)
Formula: C13H12BrCl2N3O (374.9541)
-0.03 (100%) Vitis vinifera
[PO:0009086] endocarp
MSI_000018991 Unavailable 392.9781 392.9781 ~ 392.9781
MzDiff: none
MC-3761 (BioDeep_00000008475)
Formula: C14H8Cl3NO5 (374.9468)
-0.13 (100%) Plant
[PO:0020124] root stele
MSI_000019592 Unreliable 392.9781 392.9781 ~ 392.9781
MzDiff: none
MC-3761 (BioDeep_00000008475)
Formula: C14H8Cl3NO5 (374.9468)
0.22 (100%) Plant
[PO:0025197] stele
MSI_000026243 Unreliable 392.9759 392.9759 ~ 392.9759
MzDiff: none
Not Annotated 1.79 (0%) Mus musculus
[UBERON:0000913] interstitial fluid
MSI_000040735 Unreliable 392.9854 392.9854 ~ 392.9854
MzDiff: none
Bromuconazole (BioDeep_00000001768)
Formula: C13H12BrCl2N3O (374.9541)
2.23 (100%) Posidonia oceanica
[PO:0006036] root epidermis
MSI_000040786 Unreliable 392.9784 392.9784 ~ 392.9784
MzDiff: none
(2r)-3-(2,6-dibromo-4-methoxyphenyl)-2-(trimethylammonio)propanoate (BioDeep_00002149898)
Formula: C13H17Br2NO3 (392.9575)
2.05 (100%) Posidonia oceanica
[PO:0006036] root epidermis

Found 7 Sample Hits
Metabolite Species Sample
Bromuconazole

Formula: C13H12BrCl2N3O (374.9541)
Adducts: [M+NH4]+ (Ppm: 7.4)
Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe

Bromuconazole

Formula: C13H12BrCl2N3O (374.9541)
Adducts: [M+NH4]+ (Ppm: 7.6)
Vitis vinifera (Fruit)
grape_dhb_164_1
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late

Bromuconazole

Formula: C13H12BrCl2N3O (374.9541)
Adducts: [M+NH4]+ (Ppm: 7.6)
Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late

m/z_392.9866

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.

Bithionol

Formula: C12H6Cl4O2S (353.8843)
Adducts: [M+K]+ (Ppm: 6.3)
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.

Bithionol

Formula: C12H6Cl4O2S (353.8843)
Adducts: [M+K]+ (Ppm: 4.3)
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.

Bromuconazole

Formula: C13H12BrCl2N3O (374.9541)
Adducts: [M+NH4]+ (Ppm: 6.4)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description