MSI_000007118

Unreliable

排名分数: 4.96
参考来源: Rattus norvegicus (UBERON:0004359: corpus epididymis)

M/z: 974.5552
Mass Window: 974.555 ~ 974.5552 (1.0 ppm)

参考注释

2,2-Dimethylhexanal_[M]+ (BioDeep_00000227500)
(5E)-7-(6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)hept-5-ene-2,4-dione; 2-[(2E,7E)-9-[6-(acetyloxy)-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-4,6-dioxonona-2,7-dien-1-yl]-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl acetic acid

Formula: C59H74O12 (974.5180004)
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

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.