[Fragmentation pathways of five furocoumarine using line ion trap with orbitrapmass spectrometry].
OBJECTIVE
The multiple levels fragmentations of five furocoumarine (psoralen, xanthotoxin, bergapten, oxypeucedanin, and byakangelicol) in Angelica dahurica have been demonstrated using LTQ-Orbitrap mass spectrometry with high resolution and high mass accuracy to discover the possible,fragmentation regularity.


METHODS
Duringcollsion-induced dissociation (CID), the MS(n) data of the five compoundswhich were gained in the positive ion mode at 35ev collision energy by direct injection syrings method were analyzed using Xcalibar 2.0 Software to infer the formula of these fragmentations.


RESULTS
The results indicated that the five compounds have similar fragmentation process with CO meutral lost at C5,C8-subsituents and furan ring, meanwhile the meutralloss of CO2 occurred easily at lactone group.


CONCLUSIONS
This method is helpful in identifying the structures of other furocoumarinein Angelica dahuricaand their metabolites in vivo.
Xu-guang
XG
Wang
Hong-jun
HJ
Yang
Song-song
SS
Wang
Yan
Y
Ma
De-feng
DF
Li
Yi
Y
Zhang
You-ping
YP
Liu
Hai-yu
HY
Xu
D029969:Angelica / Q000737:chemistry; D055598:Chemical Phenomena; D003374:Coumarins / Q000737:chemistry* / Q000302:isolation & purification; D004365:Drugs, Chinese Herbal / Q000737:chemistry* / Q000302:isolation & purification; D013058:Mass Spectrometry / Q000379:methods*; D015394:Molecular Structure
D003374:Coumarins; D004365:Drugs, Chinese Herbal