- 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 12 Reference Ions Near m/z 599.0732
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000017398 Reliable | 599.0776 | 599.0775 ~ 599.0776 MzDiff: 0.4 ppm |
(1r,3s,9s,23s,24r,32r)-19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione (BioDeep_00002155636) Formula: C27H22N2O10S2 (598.0716) |
2.51 (67%) | Vitis vinifera [PO:0009087] mesocarp |
MSI_000053833 Reliable | 599.0795 | 599.0793 ~ 599.0799 MzDiff: 2.5 ppm |
(1r,3s,9s,23s,24r,32r)-19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione (BioDeep_00002155636) Formula: C27H22N2O10S2 (598.0716) |
3.63 (100%) | MALDI - CHCA [NOVOCELL:BACKGROUND] blank |
MSI_000055242 Unreliable | 599.0732 | 599.0732 ~ 599.0732 MzDiff: none |
Corilagin (BioDeep_00000002646) Formula: C27H22O18 (634.0806) |
1.49 (100%) | MALDI - DHB [NOVOCELL:BACKGROUND] blank |
MSI_000016705 Unreliable | 599.0775 | 599.0775 ~ 599.0776 MzDiff: 0.4 ppm |
Punicacortein A (BioDeep_00000021216) Formula: C27H22O18 (634.0806) |
0.2 (50%) | Vitis vinifera [PO:0009086] endocarp |
MSI_000055184 Unreliable | 599.0803 | 599.0803 ~ 599.0803 MzDiff: none |
(1r,3s,9s,23s,24r,32r)-19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione (BioDeep_00002155636) Formula: C27H22N2O10S2 (598.0716) |
1.5 (100%) | MALDI - DHB [NOVOCELL:BACKGROUND] blank |
MSI_000012901 Unavailable | 599.0799 | 599.0799 ~ 599.0799 MzDiff: none |
(1r,3s,9s,23s,24r,32r)-19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione (BioDeep_00002155636) Formula: C27H22N2O10S2 (598.0716) |
-0.52 (100%) | Plant [PO:0005020] vascular bundle |
MSI_000013992 Unavailable | 599.0799 | 599.0799 ~ 599.0799 MzDiff: none |
(1r,3s,9s,23s,24r,32r)-19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione (BioDeep_00002155636) Formula: C27H22N2O10S2 (598.0716) |
-0.18 (100%) | Plant [PO:0005417] phloem |
MSI_000015034 Unavailable | 599.0799 | 599.0799 ~ 599.0799 MzDiff: none |
(1r,3s,9s,23s,24r,32r)-19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione (BioDeep_00002155636) Formula: C27H22N2O10S2 (598.0716) |
-0.53 (100%) | Plant [PO:0006036] root epidermis |
MSI_000018434 Unreliable | 599.0799 | 599.0799 ~ 599.0799 MzDiff: none |
(1r,3s,9s,23s,24r,32r)-19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione (BioDeep_00002155636) Formula: C27H22N2O10S2 (598.0716) |
1.77 (100%) | Plant [PO:0020124] root stele |
MSI_000020106 Unavailable | 599.0799 | 599.0799 ~ 599.0799 MzDiff: none |
(1r,3s,9s,23s,24r,32r)-19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione (BioDeep_00002155636) Formula: C27H22N2O10S2 (598.0716) |
-0.53 (100%) | Plant [PO:0025197] stele |
MSI_000033899 Unreliable | 599.0793 | 599.0793 ~ 599.0793 MzDiff: none |
(1r,3s,9s,23s,24r,32r)-19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione (BioDeep_00002155636) Formula: C27H22N2O10S2 (598.0716) |
0.29 (100%) | Posidonia oceanica [PO:0005352] xylem |
MSI_000037553 Unreliable | 599.0799 | 599.0799 ~ 599.0799 MzDiff: none |
(1r,3s,9s,23s,24r,32r)-19,23,32-trihydroxy-15-methoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.1¹,⁴.1²,²⁴.1¹²,¹⁶.1¹⁸,²².0³,⁹]dotriaconta-4,7,12,14,16(31),18(30),19,21-octaene-11,27,29-trione (BioDeep_00002155636) Formula: C27H22N2O10S2 (598.0716) |
1.02 (100%) | Posidonia oceanica [UBERON:0000329] hair root |
Found 2 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
Corilagin Formula: C27H22O18 (634.0806) Adducts: [M+H-2H2O]+ (Ppm: 10.8) |
Mus musculus (Lung) |
image4Resolution: 40μm, 162x156
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_599.0742 Formula: - (n/a) Adducts: (Ppm: 0) |
Mus musculus (Lung) |
image5Resolution: 40μm, 163x183
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. |
|