MSI_000017613

Reliable

排名分数: 1.89
参考来源: Vitis vinifera (PO:0009087: mesocarp)

M/z: 268.1889
Mass Window: 268.1889 ~ 268.189 (0.5 ppm)

参考注释

2-cis,4-trans-xanthoxin_[M+NH4]+ (BioDeep_00000009458)
(2Z,4E)-5-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3-methylpenta-2,4-dienal

Formula: C15H22O3 (250.1568862)
SMILES: [H]\C(C=O)=C(/C)\C(\[H])=C(/[H])[C@@]12O[C@]1(C)C[C@@]([H])(O)CC2(C)C

2-cis,4-trans-xanthoxin, also known as xanthoxin, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 2-cis,4-trans-xanthoxin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 2-cis,4-trans-xanthoxin can be found in a number of food items such as broad bean, canola, mustard spinach, and hickory nut, which makes 2-cis,4-trans-xanthoxin a potential biomarker for the consumption of these food products. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids