M/Z: 513.0288

Hit 2 annotations: Dihydroneopterin triphosphate_[M+NH4]+; 5,5,5-trichloro-2-(4,4-dichloro-n,3-dimethylbutanamido)-4-methyl-n-(1,3-thiazol-2-ylmethyl)pentanimidic acid_[M+NH4]+

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 513.0288

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000017504 Reliable	513.0287	513.0287 ~ 513.0288 MzDiff: `0.5 ppm`	5,5,5-trichloro-2-(4,4-dichloro-n,3-dimethylbutanamido)-4-methyl-n-(1,3-thiazol-2-ylmethyl)pentanimidic acid (BioDeep_00002062918) Formula: C16H22Cl5N3O2S (494.9875)	2.19 (67%)	Vitis vinifera [PO:0009087] mesocarp
MSI_000017647 Reliable	513.0379	513.0379 ~ 513.038 MzDiff: `0.1 ppm`	Dihydroneopterin triphosphate (BioDeep_00000005694) Formula: C9H16N5O13P3 (494.9957)	1.79 (100%)	Vitis vinifera [PO:0009087] mesocarp
MSI_000016821 Unavailable	513.0379	513.0379 ~ 513.0379 MzDiff: `0.1 ppm`	Dihydroneopterin triphosphate (BioDeep_00000005694) Formula: C9H16N5O13P3 (494.9957)	-0.06 (100%)	Vitis vinifera [PO:0009086] endocarp
MSI_000038503 Unreliable	513.0222	513.0222 ~ 513.0222 MzDiff: `none`	5,5,5-trichloro-2-(4,4-dichloro-n,3-dimethylbutanamido)-4-methyl-n-(1,3-thiazol-2-ylmethyl)pentanimidic acid (BioDeep_00002062918) Formula: C16H22Cl5N3O2S (494.9875)	1.86 (100%)	Posidonia oceanica [PO:0005059] root endodermis
MSI_000025050 Unreliable	513.023	513.023 ~ 513.023 MzDiff: `none`	Dihydroneopterin triphosphate (BioDeep_00000005694) Formula: C9H16N5O13P3 (494.9957)	1.73 (100%)	Mus musculus [UBERON:0004269] upper arm connective tissue

Found 5 Sample Hits

Metabolite	Species	Sample
Dihydroneopterin triphosphate Formula: C9H16N5O13P3 (494.9957) Adducts: [M+NH4]+ (Ppm: 4)	Homo sapiens (Liver)	20171107_FIT4_DHBpos_p70_s50 Resolution: 50μm, 70x70 Description
m/z_513.0288 Formula: - (n/a) Adducts: (Ppm: )	Vitis vinifera (Fruit)	grape_dhb_91_1 Resolution: 50μm, 120x114 Description Grape berries fruit, condition: Ripe
5,5,5-trichloro-2-(4,4-dichloro-n,3-dimethylbutanamido)-4-methyl-n-(1,3-thiazol-2-ylmethyl)pentanimidic acid Formula: C16H22Cl5N3O2S (494.9875) Adducts: [M+NH4]+ (Ppm: 14.5)	Vitis vinifera (Fruit)	grape_dhb_164_1 Resolution: 17μm, 136x122 Description Grape berries fruit, condition: Late
5,5,5-trichloro-2-(4,4-dichloro-n,3-dimethylbutanamido)-4-methyl-n-(1,3-thiazol-2-ylmethyl)pentanimidic acid Formula: C16H22Cl5N3O2S (494.9875) Adducts: [M+NH4]+ (Ppm: 14.3)	Vitis vinifera (Fruit)	grape_dhb_163_1 Resolution: 17μm, 132x115 Description Grape berries fruit, condition: Late
Dihydroneopterin triphosphate Formula: C9H16N5O13P3 (494.9957) Adducts: [M+NH4]+ (Ppm: 0.5)	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.