M/Z: 631.0451

Hit 1 annotations: (1r,3s,9s,23s,24r,33r)-19,23,33-trihydroxy-15-methoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]tritriaconta-4,7,12,14,16(32),18(31),19,21-octaene-11,28,30-trione_[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 2 Reference Ions Near m/z 631.0451

NovoCell ID	m/z	Mass Window	Metabolite	Ranking	Anatomy Context
MSI_000015405 Reliable	631.0454	631.0451 ~ 631.0458 MzDiff: `2.9 ppm`	(1r,3s,9s,23s,24r,33r)-19,23,33-trihydroxy-15-methoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]tritriaconta-4,7,12,14,16(32),18(31),19,21-octaene-11,28,30-trione (BioDeep_00002126156) Formula: C27H22N2O10S3 (630.0437)	5 (100%)	Vitis vinifera [PO:0009085] exocarp
MSI_000025045 Unreliable	631.0527	631.0527 ~ 631.0527 MzDiff: `none`	C.I. Food Brown 3 (BioDeep_00000035340) Formula: C27H20N4O9S2 (608.0672)	1.74 (100%)	Mus musculus [UBERON:0004269] upper arm connective tissue

Found 5 Sample Hits

Metabolite	Species	Sample
(1r,3s,9s,23s,24r,33r)-19,23,33-trihydroxy-15-methoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]tritriaconta-4,7,12,14,16(32),18(31),19,21-octaene-11,28,30-trione Formula: C27H22N2O10S3 (630.0437) Adducts: [M+H]+ (Ppm: 9.2)	Vitis vinifera (Fruit)	grape_dhb_91_1 Resolution: 50μm, 120x114 Description Grape berries fruit, condition: Ripe
(1r,3s,9s,23s,24r,33r)-19,23,33-trihydroxy-15-methoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]tritriaconta-4,7,12,14,16(32),18(31),19,21-octaene-11,28,30-trione Formula: C27H22N2O10S3 (630.0437) Adducts: [M+H]+ (Ppm: 8.1)	Vitis vinifera (Fruit)	grape_dhb_164_1 Resolution: 17μm, 136x122 Description Grape berries fruit, condition: Late
(1r,3s,9s,23s,24r,33r)-19,23,33-trihydroxy-15-methoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]tritriaconta-4,7,12,14,16(32),18(31),19,21-octaene-11,28,30-trione Formula: C27H22N2O10S3 (630.0437) Adducts: [M+H]+ (Ppm: 8.6)	Vitis vinifera (Fruit)	grape_dhb_163_1 Resolution: 17μm, 132x115 Description Grape berries fruit, condition: Late
(1r,3s,9s,23s,24r,33r)-19,23,33-trihydroxy-15-methoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]tritriaconta-4,7,12,14,16(32),18(31),19,21-octaene-11,28,30-trione Formula: C27H22N2O10S3 (630.0437) Adducts: [M+H]+ (Ppm: 8.6)	Mytilus edulis (mantle)	20190201_MS38_Crassostrea_Mantle_350-1500_DHB_pos_A28_10um_270x210 Resolution: 10μm, 270x210 Description
(1r,3s,9s,23s,24r,33r)-19,23,33-trihydroxy-15-methoxy-29-methyl-6,10,17-trioxa-25,26,27-trithia-2,29-diazaheptacyclo[22.3.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]tritriaconta-4,7,12,14,16(32),18(31),19,21-octaene-11,28,30-trione Formula: C27H22N2O10S3 (630.0437) Adducts: [M+H]+ (Ppm: 10.4)	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