2,2-Dimethylhexanal
Formula: C59H74O12 (974.518)
Chinese Name: 2,2-二甲基己醛
BioDeep ID: BioDeep_00000227500
( View LC/MS Profile)
SMILES: CC(=O)CC(=O)\C=C\CC1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1.CC(=O)OC1=C(C)C(C)=C2OC(C)(C\C=C\C(=O)CC(=O)\C=C\CC3(C)CCC4=C(C)C(OC(C)=O)=C(C)C(C)=C4O3)CCC2=C1C
Found 11 Sample Hits
m/z | Adducts | Species | Organ | Scanning | Sample | |
---|---|---|---|---|---|---|
974.5552 | [M-H2O+NH4]+PPM:14.3 |
Rattus norvegicus | Epididymis | MALDI (DHB) |
epik_dhb_head_ito03_18 - MTBLS58Resolution: 17μm, 208x104
|
|
974.5547 | [M-H2O+NH4]+PPM:13.8 |
Rattus norvegicus | Epididymis | MALDI (DHB) |
epik_dhb_head_ito08_43 - MTBLS58Resolution: 17μm, 298x106
|
|
974.5552 | [M-H2O+NH4]+PPM:14.3 |
Rattus norvegicus | Epididymis | MALDI (DHB) |
epik_dhb_head_ito08_44 - MTBLS58Resolution: 17μm, 299x111
|
|
974.5545 | [M-H2O+NH4]+PPM:13.6 |
Rattus norvegicus | Epididymis | MALDI (DHB) |
epik_dhb_head_ito08_46 - MTBLS58Resolution: 17μm, 298x106
|
|
974.5541 | [M-H2O+NH4]+PPM:13.2 |
Rattus norvegicus | Epididymis | MALDI (DHB) |
epik_dhb_head_ito08_47 - MTBLS58Resolution: 17μm, 301x111
|
|
974.5546 | [M-H2O+NH4]+PPM:13.7 |
Rattus norvegicus | Epididymis | MALDI (DHB) |
epik_dhb_head_ito08_48 - MTBLS58Resolution: 17μm, 294x107
|
|
974.5546 | [M-H2O+NH4]+PPM:13.7 |
Rattus norvegicus | Epididymis | MALDI (DHB) |
epik_dhb_head_ito01_04 - MTBLS58Resolution: 17μm, 178x91
|
|
974.5547 | [M-H2O+NH4]+PPM:13.8 |
Rattus norvegicus | Epididymis | MALDI (DHB) |
epik_dhb_head_ito01_06 - MTBLS58Resolution: 17μm, 183x103
|
|
975.5389 | [M+H]+PPM:14 |
Mus musculus | Left upper arm | MALDI (CHCA) |
357_l_total ion count - Limb defect imaging - Monash UniversityResolution: 50μm, 97x131
Diseased |
|
975.5431 | [M+H]+PPM:18.3 |
Mus musculus | Lung | MALDI (DHB) |
image3 - MTBLS2075Resolution: 40μm, 146x190
Fig. 4 MALDI-MSI data of mouse lung tissue after administration with D9-choline and U13C-DPPC–containing Poractant alfa surfactant (labels administered 12 h prior to tissue collection). 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-PC32:0+Na]+ (red) and [D9-PC32:0+Na]+ (green). 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. MSI, mass spectrometry imaging; PC, phosphatidylcholine; U13C-DPPC, universally 13C-labeled dipalmitoyl PC. |
|
974.5501 | [M-H2O+NH4]+PPM:9.1 |
Mus musculus | Lung | MALDI (DHB) |
image2 - MTBLS2075Resolution: 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%). |
|
2,2-dimethylhexanal can be found in roselle and soy bean, which makes 2,2-dimethylhexanal a potential biomarker for the consumption of these food products.