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 653.0285
NovoCell ID m/z Mass Window Metabolite Ranking Anatomy Context
MSI_000015534 Reliable 653.0284 653.0283 ~ 653.0285
MzDiff: 0.9 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)
4.37 (100%) Vitis vinifera
[PO:0009085] exocarp
MSI_000024396 Unreliable 653.038 653.038 ~ 653.038
MzDiff: none
Not Annotated 1.78 (0%) Mus musculus
[UBERON:0004269] upper arm connective tissue

Found 4 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+Na]+ (Ppm: 6.7)
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+Na]+ (Ppm: 7)
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+Na]+ (Ppm: 7)
Vitis vinifera (Fruit)
grape_dhb_163_1
Resolution: 17μm, 132x115

Description

Grape berries fruit, condition: Late

m/z_653.0331

Formula: - (n/a)
Adducts: (Ppm: 0)
Mus musculus (Lung)
image2
Resolution: 40μm, 550x256

Description

Supplementary Figure S6. Ion distribution images for (a) [PC36:4+Na]+ (m/z 804.5514) and (b) [PC38:6+Na]+ (m/z 828.5515) obtained from mouse lung tissue collected 6 h after administration of D9- choline and U13C-DPPC–containing CHF5633. Parts-per-million (ppm) mass errors are indicated in parentheses. (c) Magnification of the boxed region in (a) with selected bronchiolar regions outlined in white boxes. (d) The corresponding H&E-stained tissue section with the same selected bronchiolar regions outlined in black boxes. These data demonstrate the co-localisation of the polyunsaturated lipids PC36:4 and PC38:6 with the bronchiolar regions of the lung. All MSI images were visualised using total ion current normalisation and hotspot removal (high quantile = 99%).