M/Z: 687.4427
Hit 4 annotations: 7-{[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-10-yl acetate_[M+H-2H2O]+
; Proctolin_[M+K]+
; Prephytoene diphosphate_[M+H-2H2O]+
; PA(13:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))_[M+H]+
- 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 10 Reference Ions Near m/z 687.4427
NovoCell ID | m/z | Mass Window | Metabolite | Ranking | Anatomy Context |
---|---|---|---|---|---|
MSI_000018141 Reliable | 687.4426 | 687.4425 ~ 687.4427 MzDiff: 0.6 ppm |
7-{[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-10-yl acetate (BioDeep_00002127653) Formula: C40H66O11 (722.4605) |
0.38 (100%) | Vitis vinifera [PO:0009087] mesocarp |
MSI_000002674 Unavailable | 687.4364 | 687.4364 ~ 687.4364 MzDiff: none |
PA(13:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000187882) Formula: C36H63O10P (686.4159) |
-0.22 (100%) | Rattus norvegicus [UBERON:0001950] neocortex |
MSI_000003286 Unavailable | 687.4364 | 687.4364 ~ 687.4364 MzDiff: none |
PA(13:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000187882) Formula: C36H63O10P (686.4159) |
-0.04 (100%) | Rattus norvegicus [UBERON:0002037] cerebellum |
MSI_000005142 Unavailable | 687.4364 | 687.4364 ~ 687.4364 MzDiff: none |
PA(13:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000187882) Formula: C36H63O10P (686.4159) |
-0.59 (100%) | Rattus norvegicus [UBERON:0002298] brainstem |
MSI_000005769 Unavailable | 687.4364 | 687.4364 ~ 687.4364 MzDiff: none |
PA(13:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000187882) Formula: C36H63O10P (686.4159) |
-0.62 (100%) | Rattus norvegicus [UBERON:0002435] striatum |
MSI_000023545 Unreliable | 687.4425 | 687.4425 ~ 687.4425 MzDiff: none |
Not Annotated | 1.49 (0%) | Mus musculus [UBERON:0004263] upper arm skin |
MSI_000026002 Unreliable | 687.4446 | 687.4446 ~ 687.4446 MzDiff: none |
Proctolin (BioDeep_00000182621) Formula: C30H48N8O8 (648.3595) |
1.96 (100%) | Mus musculus [UBERON:0000913] interstitial fluid |
MSI_000058469 Unreliable | 687.4363 | 687.4363 ~ 687.4363 MzDiff: none |
PA(13:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000187882) Formula: C36H63O10P (686.4159) |
1.15 (100%) | Mus musculus [UBERON:0001950] neocortex |
MSI_000059823 Unavailable | 687.4363 | 687.4363 ~ 687.4363 MzDiff: none |
PA(13:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000187882) Formula: C36H63O10P (686.4159) |
-0.61 (100%) | Mus musculus [UBERON:0002298] brainstem |
MSI_000060882 Unavailable | 687.4363 | 687.4363 ~ 687.4363 MzDiff: none |
PA(13:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (BioDeep_00000187882) Formula: C36H63O10P (686.4159) |
-0.54 (100%) | Mus musculus [UBERON:0002421] hippocampal formation |
Found 8 Sample Hits
Metabolite | Species | Sample | |
---|---|---|---|
7-{[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-10-yl acetate Formula: C40H66O11 (722.4605) Adducts: [M+H-2H2O]+ (Ppm: 5.7) |
Vitis vinifera (Fruit) |
grape_dhb_91_1Resolution: 50μm, 120x114
Grape berries fruit, condition: Ripe |
|
7-{[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-10-yl acetate Formula: C40H66O11 (722.4605) Adducts: [M+H-2H2O]+ (Ppm: 6) |
Vitis vinifera (Fruit) |
grape_dhb_164_1Resolution: 17μm, 136x122
Grape berries fruit, condition: Late |
|
7-{[3-(acetyloxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-10-yl acetate Formula: C40H66O11 (722.4605) Adducts: [M+H-2H2O]+ (Ppm: 5.9) |
Vitis vinifera (Fruit) |
grape_dhb_163_1Resolution: 17μm, 132x115
Grape berries fruit, condition: Late |
|
Proctolin Formula: C30H48N8O8 (648.3595) Adducts: [M+K]+ (Ppm: 18.4) |
Mus musculus (Lung) |
image1Resolution: 40μm, 187x165
Fig. 2 MALDI-MSI data from the same mouse lung tissue analyzed in Fig. 1. A: Optical image of the post-MSI, H&E-stained tissue section. B–D, F–G: Ion images of (B) m/z 796.6855 ([U13C-DPPC+Na]+), (C) m/z 756.5514 ([PC32:0+Na]+), (D) m/z 765.6079 ([D9-PC32:0+Na]+), (F) m/z 754.5359 ([PC32:1+Na]+), and (G) m/z 763.5923 ([D9-PC32:1+Na]+). E, H: Ratio images of (E) [D9-PC32:0+Na]+:[PC32:0+Na]+ and (H) [D9-PC32:1+Na]+:[PC32:1+Na]+. Part-per-million (ppm) mass errors are indicated in parentheses. All images were visualized using total-ion-current normalization and using hotspot removal (high quantile = 99%). DPPC = PC16:0/16:0. U13C-DPPC, universally 13C-labeled dipalmitoyl PC; PC, phosphatidylcholine; MSI, mass spectrometry imaging; H&E, hematoxylin and eosin.
Fig 1-3, Fig S1-S3, S5 |
|
m/z_687.4425 Formula: - (n/a) Adducts: (Ppm: 0) |
Mus musculus (Left upper arm) |
357_l_total ion countResolution: 50μm, 97x131
Diseased |
|
Prephytoene diphosphate Formula: C40H68O7P2 (722.444) Adducts: [M+H-2H2O]+ (Ppm: 11.6) |
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. |
|
Prephytoene diphosphate Formula: C40H68O7P2 (722.444) Adducts: [M+H-2H2O]+ (Ppm: 12.9) |
Mus musculus (Lung) |
image2Resolution: 40μm, 550x256
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%). |
|
PA(13:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) Formula: C36H63O10P (686.4159) Adducts: [M+H]+ (Ppm: 19.1) |
Mus musculus (brain) |
Brain01_Bregma-3-88b_centroidResolution: 17μm, 265x320
|
|