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 13 Reference Ions Near m/z 484.03
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000053640 Reliable 484.0374 484.0372 ~ 484.0377
MzDiff: 2.3 ppm
(5z)-3-bromo-1-{5-[(1-bromoprop-2-yn-1-yl)oxy]-3-hydroxyoxolan-2-yl}oct-5-en-2-yl acetate (BioDeep_00002196712)
Formula: C17H24Br2O5 (465.999)
6.42 (100%) MALDI - CHCA
[NOVOCELL:BACKGROUND] blank
MSI_000017894 Unreliable 484.0342 484.0342 ~ 484.0342
MzDiff: none
methyl 3,4,5-trihydroxy-2-{6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-5-yl}benzoate (BioDeep_00002067176)
Formula: C22H12O13 (484.0278)
1.14 (100%) Vitis vinifera
[PO:0009087] mesocarp
MSI_000054820 Unreliable 484.0378 484.0374 ~ 484.038
MzDiff: 2.6 ppm
Diacetyldichlorofluorescein (BioDeep_00000173660)
Formula: C24H14Cl2O7 (484.0117)
1.72 (100%) MALDI - DHB
[NOVOCELL:BACKGROUND] blank
MSI_000055164 Unreliable 484.0271 484.0271 ~ 484.0271
MzDiff: none
temephos (BioDeep_00000002313)
Formula: C16H20O6P2S3 (465.9897)
1.51 (100%) MALDI - DHB
[NOVOCELL:BACKGROUND] blank
MSI_000055392 Unreliable 484.0338 484.0338 ~ 484.0338
MzDiff: none
Diacetyldichlorofluorescein (BioDeep_00000173660)
Formula: C24H14Cl2O7 (484.0117)
1.46 (100%) MALDI - DHB
[NOVOCELL:BACKGROUND] blank
MSI_000017514 Unreliable 484.03 484.03 ~ 484.03
MzDiff: none
temephos (BioDeep_00000002313)
Formula: C16H20O6P2S3 (465.9897)
2.16 (100%) Vitis vinifera
[PO:0009087] mesocarp
MSI_000012882 Unavailable 484.0383 484.0383 ~ 484.0383
MzDiff: none
Diacetyldichlorofluorescein (BioDeep_00000173660)
Formula: C24H14Cl2O7 (484.0117)
-0.51 (100%) Plant
[PO:0005020] vascular bundle
MSI_000014037 Unavailable 484.0383 484.0383 ~ 484.0383
MzDiff: none
Diacetyldichlorofluorescein (BioDeep_00000173660)
Formula: C24H14Cl2O7 (484.0117)
-0.25 (100%) Plant
[PO:0005417] phloem
MSI_000014860 Unavailable 484.0383 484.0383 ~ 484.0383
MzDiff: none
Diacetyldichlorofluorescein (BioDeep_00000173660)
Formula: C24H14Cl2O7 (484.0117)
-0.47 (100%) Plant
[PO:0006036] root epidermis
MSI_000016737 Unreliable 484.0351 484.0351 ~ 484.0351
MzDiff: none
methyl 3,4,5-trihydroxy-2-{6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-5-yl}benzoate (BioDeep_00002067176)
Formula: C22H12O13 (484.0278)
0.11 (100%) Vitis vinifera
[PO:0009086] endocarp
MSI_000018394 Unreliable 484.0383 484.0383 ~ 484.0383
MzDiff: none
Diacetyldichlorofluorescein (BioDeep_00000173660)
Formula: C24H14Cl2O7 (484.0117)
1.78 (100%) Plant
[PO:0020124] root stele
MSI_000020211 Unavailable 484.0383 484.0383 ~ 484.0383
MzDiff: none
Diacetyldichlorofluorescein (BioDeep_00000173660)
Formula: C24H14Cl2O7 (484.0117)
-0.55 (100%) Plant
[PO:0025197] stele
MSI_000034863 Unavailable 484.0372 484.0372 ~ 484.0372
MzDiff: none
(5z)-3-bromo-1-{5-[(1-bromoprop-2-yn-1-yl)oxy]-3-hydroxyoxolan-2-yl}oct-5-en-2-yl acetate (BioDeep_00002196712)
Formula: C17H24Br2O5 (465.999)
-0.25 (100%) Posidonia oceanica
[PO:0006036] root epidermis

Found 8 Sample Hits
Metabolite Species Sample
methyl 3,4,5-trihydroxy-2-{6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-5-yl}benzoate

Formula: C22H12O13 (484.0278)
Adducts: [M]+ (Ppm: 13.5)
Vitis vinifera (Fruit)
grape_dhb_91_1
Resolution: 50μm, 120x114

Description

Grape berries fruit, condition: Ripe

temephos

Formula: C16H20O6P2S3 (465.9897)
Adducts: [M+NH4]+ (Ppm: 13.3)
Vitis vinifera (Fruit)
grape_dhb_164_1
Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late

methyl 3,4,5-trihydroxy-2-{6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4(16),5,7,11(15),12-hexaen-5-yl}benzoate

Formula: C22H12O13 (484.0278)
Adducts: [M]+ (Ppm: 14.4)
Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late

m/z_484.0255

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.

temephos

Formula: C16H20O6P2S3 (465.9897)
Adducts: [M+NH4]+ (Ppm: 18.7)
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.

temephos

Formula: C16H20O6P2S3 (465.9897)
Adducts: [M+NH4]+ (Ppm: 7.3)
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.

temephos

Formula: C16H20O6P2S3 (465.9897)
Adducts: [M+NH4]+ (Ppm: 2.6)
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.

Diacetyldichlorofluorescein

Formula: C24H14Cl2O7 (484.0117)
Adducts: [M-H2O+NH4]+ (Ppm: 6)
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.