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 6 Reference Ions Near m/z 661.052
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000054490 Unreliable 661.0546 661.0546 ~ 661.0546
MzDiff: 0.0 ppm
Norbadione A (BioDeep_00000021355)
Formula: C35H18O15 (678.0646)
2.75 (100%) MALDI - DHB
[NOVOCELL:BACKGROUND] blank
MSI_000054239 Unreliable 661.0548 661.0548 ~ 661.0548
MzDiff: none
Not Annotated 3.04 (0%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000017685 Unreliable 661.0519 661.0519 ~ 661.0519
MzDiff: none
[4-(6-{5-[carboxy(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxofuran-3-yl}-11-hydroxy-3-oxo-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),4,6,8,10-pentaen-9-yl)-3-hydroxy-5-oxofuran-2-ylidene](4-hydroxyphenyl)acetic acid (BioDeep_00002296680)
Formula: C35H18O15 (678.0646)
1.7 (100%) Vitis vinifera
[PO:0009087] mesocarp
MSI_000016862 Unavailable 661.0521 661.0521 ~ 661.0521
MzDiff: none
[4-(6-{5-[carboxy(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxofuran-3-yl}-11-hydroxy-3-oxo-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),4,6,8,10-pentaen-9-yl)-3-hydroxy-5-oxofuran-2-ylidene](4-hydroxyphenyl)acetic acid (BioDeep_00002296680)
Formula: C35H18O15 (678.0646)
-0.17 (100%) Vitis vinifera
[PO:0009086] endocarp
MSI_000023674 Unreliable 661.0529 661.0529 ~ 661.0529
MzDiff: none
Norbadione A (BioDeep_00000021355)
Formula: C35H18O15 (678.0646)
1.31 (100%) Mus musculus
[UBERON:0004263] upper arm skin
MSI_000024694 Unreliable 661.0458 661.0458 ~ 661.0458
MzDiff: none
N-Acetyl-L-phenylalanyl-3,5-diiodo-L-tyrosine (BioDeep_00000181227)
Formula: C20H20I2N2O5 (621.9462)
1.77 (100%) Mus musculus
[UBERON:0004269] upper arm connective tissue

Found 14 Sample Hits
Metabolite Species Sample
[4-(6-{5-[carboxy(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxofuran-3-yl}-11-hydroxy-3-oxo-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),4,6,8,10-pentaen-9-yl)-3-hydroxy-5-oxofuran-2-ylidene](4-hydroxyphenyl)acetic acid

Formula: C35H18O15 (678.0646)
Adducts: [M+H-H2O]+ (Ppm: 13.9)
Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe

[4-(6-{5-[carboxy(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxofuran-3-yl}-11-hydroxy-3-oxo-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),4,6,8,10-pentaen-9-yl)-3-hydroxy-5-oxofuran-2-ylidene](4-hydroxyphenyl)acetic acid

Formula: C35H18O15 (678.0646)
Adducts: [M+H-H2O]+ (Ppm: 14.2)
Vitis vinifera (Fruit)
grape_dhb_164_1
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late

m/z_661.0521

Formula: - (n/a)
Adducts: (Ppm: 0)
Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late

Norbadione A

Formula: C35H18O15 (678.0646)
Adducts: [M+H-H2O]+ (Ppm: 12.7)
Mus musculus (Left upper arm)
357_l_total ion count
Resolution: 50μm, 97x131

Description

Diseased

N-Acetyl-L-phenylalanyl-3,5-diiodo-L-tyrosine

Formula: C20H20I2N2O5 (621.9462)
Adducts: [M+K]+ (Ppm: 5.1)
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.

m/z_661.0542

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.

N-Acetyl-L-phenylalanyl-3,5-diiodo-L-tyrosine

Formula: C20H20I2N2O5 (621.9462)
Adducts: [M+K]+ (Ppm: 5.6)
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.

Norbadione A

Formula: C35H18O15 (678.0646)
Adducts: [M+H-H2O]+ (Ppm: 10.1)
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.

Norbadione A

Formula: C35H18O15 (678.0646)
Adducts: [M+H-H2O]+ (Ppm: 14)
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.

m/z_661.0537

Formula: - (n/a)
Adducts: (Ppm: 0)
Posidonia oceanica (root)
20190822_MS1_A19r-19
Resolution: 17μm, 303x309

Description

Seagrasses are among the most efficient sinks of carbon dioxide on Earth. While carbon sequestration in terrestrial plants is linked to the microorganisms living in their soils, the interactions of seagrasses with their rhizospheres are poorly understood. Here, we show that the seagrass, Posidonia oceanica excretes sugars, mainly sucrose, into its rhizosphere. These sugars accumulate to µM concentrations—nearly 80 times higher than previously observed in marine environments. This finding is unexpected as sugars are readily consumed by microorganisms. Our experiments indicated that under low oxygen conditions, phenolic compounds from P. oceanica inhibited microbial consumption of sucrose. Analyses of the rhizosphere community revealed that many microbes had the genes for degrading sucrose but these were only expressed by a few taxa that also expressed genes for degrading phenolics. Given that we observed high sucrose concentrations underneath three other species of marine plants, we predict that the presence of plant-produced phenolics under low oxygen conditions allows the accumulation of labile molecules across aquatic rhizospheres.

m/z_661.0548

Formula: - (n/a)
Adducts: (Ppm: 0)
Posidonia oceanica (root)
MS1_20180404_PO_1200
Resolution: 17μm, 193x208

Description

Norbadione A

Formula: C35H18O15 (678.0646)
Adducts: [M+H-H2O]+ (Ppm: 10.1)
Mytilus edulis (mantle)
20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210
Resolution: 10μm, 270x210

Description

Norbadione A

Formula: C35H18O15 (678.0646)
Adducts: [M+H-H2O]+ (Ppm: 11)
Mytilus edulis (gill)
20190202_MS38_Crassostrea_Gill_350-1500_DHB_pos_A25_11um_305x210
Resolution: 11μm, 305x210

Description

single cell layer class_4 is the gill structure cells, metabolite ion 534.2956 is the top representive ion of this type of cell

Norbadione A

Formula: C35H18O15 (678.0646)
Adducts: [M+H-H2O]+ (Ppm: 10.9)
Mytilus edulis (mantle)
20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210
Resolution: 10μm, 275x210

Description