M/Z: 654.0598

Hit 2 annotations: dictazoline B_[M+NH4]+; 2,3-Bis-[2-methoxy-4-nitro-5-sulfophenyl]-2h-tetrazole-5-carboxanilide_[M+H]+

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 5 Reference Ions Near m/z 654.0598

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000018104 Reliable	654.0578	654.0574 ~ 654.058 MzDiff: `2.3 ppm`	dictazoline B (BioDeep_00000235546) Formula: C26H22Br2N8O2 (636.0232)	0.47 (100%)	Vitis vinifera [PO:0009087] mesocarp
MSI_000055014 Unreliable	654.0525	654.0525 ~ 654.0525 MzDiff: `none`	Not Annotated	1.57 (%)	MALDI - DHB [NOVOCELL:BACKGROUND] blank
MSI_000055443 Unreliable	654.0589	654.0589 ~ 654.0589 MzDiff: `none`	2,3-Bis-[2-methoxy-4-nitro-5-sulfophenyl]-2h-tetrazole-5-carboxanilide (BioDeep_00000183689) Formula: C22H19N7O13S2 (653.0482)	1.45 (100%)	MALDI - DHB [NOVOCELL:BACKGROUND] blank
MSI_000023640 Unreliable	654.0538	654.0538 ~ 654.0538 MzDiff: `none`	Not Annotated	1.36 (%)	Mus musculus [UBERON:0004263] upper arm skin
MSI_000025046 Unreliable	654.0618	654.0618 ~ 654.0618 MzDiff: `none`	2,3-Bis-[2-methoxy-4-nitro-5-sulfophenyl]-2h-tetrazole-5-carboxanilide (BioDeep_00000183689) Formula: C22H19N7O13S2 (653.0482)	1.74 (100%)	Mus musculus [UBERON:0004269] upper arm connective tissue

Found 8 Sample Hits

Metabolite	Species	Sample
dictazoline B Formula: C26H22Br2N8O2 (636.0232) Adducts: [M+NH4]+ (Ppm: 2.5)	Vitis vinifera (Fruit)	grape_dhb_91_1 Resolution: 50μm, 120x114 Description Grape berries fruit, condition: Ripe
dictazoline B Formula: C26H22Br2N8O2 (636.0232) Adducts: [M+NH4]+ (Ppm: 0.5)	Vitis vinifera (Fruit)	grape_dhb_164_1 Resolution: 17μm, 136x122 Description Grape berries fruit, condition: Late
dictazoline B Formula: C26H22Br2N8O2 (636.0232) Adducts: [M+NH4]+ (Ppm: 1.4)	Vitis vinifera (Fruit)	grape_dhb_163_1 Resolution: 17μm, 132x115 Description Grape berries fruit, condition: Late
2,3-Bis-[2-methoxy-4-nitro-5-sulfophenyl]-2h-tetrazole-5-carboxanilide Formula: C22H19N7O13S2 (653.0482) Adducts: [M+H]+ (Ppm: 9.6)	Mus musculus (Left upper arm)	357_l_total ion count Resolution: 50μm, 97x131 Description Diseased
2,3-Bis-[2-methoxy-4-nitro-5-sulfophenyl]-2h-tetrazole-5-carboxanilide Formula: C22H19N7O13S2 (653.0482) Adducts: [M+H]+ (Ppm: 0.6)	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.
2,3-Bis-[2-methoxy-4-nitro-5-sulfophenyl]-2h-tetrazole-5-carboxanilide Formula: C22H19N7O13S2 (653.0482) Adducts: [M+H]+ (Ppm: 5.2)	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.
m/z_654.0533 Formula: - (n/a) Adducts: (Ppm: )	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.
2,3-Bis-[2-methoxy-4-nitro-5-sulfophenyl]-2h-tetrazole-5-carboxanilide Formula: C22H19N7O13S2 (653.0482) Adducts: [M+H]+ (Ppm: 6.6)	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.