M/Z: 591.0513

Hit 2 annotations: 3,4,12,14,17,18,26,28-octahydroxy-9,30-dioxaheptacyclo[20.6.2.2⁸,¹¹.0²,⁷.0¹⁰,¹⁵.0¹⁶,²¹.0²⁵,²⁹]dotriaconta-1(28),2(7),3,5,8(32),10,12,14,16(21),17,19,22,25(29),26-tetradecaene-24,31-dione_[M+Na]+; 3,4,5-tris(3,4,5-trihydroxybenzoyloxy)benzoic acid_[M+H-2H2O]+

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 2 Reference Ions Near m/z 591.0513

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000015676 Unreliable	591.0542	591.0541 ~ 591.0543 MzDiff: `1.0 ppm`	3,4,12,14,17,18,26,28-octahydroxy-9,30-dioxaheptacyclo[20.6.2.2⁸,¹¹.0²,⁷.0¹⁰,¹⁵.0¹⁶,²¹.0²⁵,²⁹]dotriaconta-1(28),2(7),3,5,8(32),10,12,14,16(21),17,19,22,25(29),26-tetradecaene-24,31-dione (BioDeep_00002091749) Formula: C30H16O12 (568.0642)	3.7 (100%)	Vitis vinifera [PO:0009085] exocarp
MSI_000040686 Unreliable	591.0516	591.0516 ~ 591.0516 MzDiff: `none`	3,4,5-tris(3,4,5-trihydroxybenzoyloxy)benzoic acid (BioDeep_00002238933) Formula: C28H18O17 (626.0544)	2.26 (100%)	Posidonia oceanica [PO:0006036] root epidermis

Found 8 Sample Hits

Metabolite	Species	Sample
m/z_591.0506 Formula: - (n/a) Adducts: (Ppm: 0)	Homo sapiens (Liver)	20171107_FIT4_DHBpos_p70_s50 Resolution: 50μm, 70x70 Description
3,4,12,14,17,18,26,28-octahydroxy-9,30-dioxaheptacyclo[20.6.2.2⁸,¹¹.0²,⁷.0¹⁰,¹⁵.0¹⁶,²¹.0²⁵,²⁹]dotriaconta-1(28),2(7),3,5,8(32),10,12,14,16(21),17,19,22,25(29),26-tetradecaene-24,31-dione Formula: C30H16O12 (568.0642) Adducts: [M+Na]+ (Ppm: 1.2)	Vitis vinifera (Fruit)	grape_dhb_91_1 Resolution: 50μm, 120x114 Description Grape berries fruit, condition: Ripe
3,4,12,14,17,18,26,28-octahydroxy-9,30-dioxaheptacyclo[20.6.2.2⁸,¹¹.0²,⁷.0¹⁰,¹⁵.0¹⁶,²¹.0²⁵,²⁹]dotriaconta-1(28),2(7),3,5,8(32),10,12,14,16(21),17,19,22,25(29),26-tetradecaene-24,31-dione Formula: C30H16O12 (568.0642) Adducts: [M+Na]+ (Ppm: 0.3)	Vitis vinifera (Fruit)	grape_dhb_164_1 Resolution: 17μm, 136x122 Description Grape berries fruit, condition: Late
3,4,5-tris(3,4,5-trihydroxybenzoyloxy)benzoic acid Formula: C28H18O17 (626.0544) Adducts: [M+H-2H2O]+ (Ppm: 18.7)	Posidonia oceanica (root)	MS1_20180404_PO_1200 Resolution: 17μm, 193x208 Description
3,4,5-tris(3,4,5-trihydroxybenzoyloxy)benzoic acid Formula: C28H18O17 (626.0544) Adducts: [M+H-2H2O]+ (Ppm: 18.9)	Mytilus edulis (mantle)	20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210 Resolution: 10μm, 270x210 Description
3,4,5-tris(3,4,5-trihydroxybenzoyloxy)benzoic acid Formula: C28H18O17 (626.0544) Adducts: [M+H-2H2O]+ (Ppm: 17.9)	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
3,4,5-tris(3,4,5-trihydroxybenzoyloxy)benzoic acid Formula: C28H18O17 (626.0544) Adducts: [M+H-2H2O]+ (Ppm: 18.2)	Mytilus edulis (mantle)	20190216_MS38_Mytilus_mantle_350-1500_DHB_pos_A26_10um_275x210 Resolution: 10μm, 275x210 Description
m/z_591.0508 Formula: - (n/a) Adducts: (Ppm: 0)	Drosophila melanogaster (brain)	Drosophila18 Resolution: 5μm, 686x685 Description Sample information Organism: Drosophila melanogaster Organism part: Brain Condition: Healthy Sample preparation Sample stabilisation: Frozen Tissue modification: Frozen MALDI matrix: 2,5-dihydroxybenzoic acid (DHB) MALDI matrix application: TM sprayer Solvent: Aceton/water MS analysis Polarity: Positive Ionisation source: Prototype Analyzer: Orbitrap Pixel size: 5μm × 5μm Annotation settings m/z tolerance (ppm): 3 Analysis version: Original MSM Pixel count: 469910 Imzml file size: 696.23 MB Ibd file size: 814.11 MB