The electron impact time-of-flight(TOF) mass spectra of the title compounds were studied to establish their fragmentation processes. With the high resolution of the TOF instrument, the exact mass for each fragment was...The electron impact time-of-flight(TOF) mass spectra of the title compounds were studied to establish their fragmentation processes. With the high resolution of the TOF instrument, the exact mass for each fragment was determined. These data were used to infer the molecular formulas and the elemental compositions for all the molecular ions and fragments through software interpretation. By further applying the fragmentation regularity, the majority of ions were fully assigned. The main fragmentation pathways of the title compounds include the formation of molecular ions by the loss of R 1 groups in the 4-position and the ester groups in the 5-position. The formed ion can be further fragmented by the elimination of MeOH.展开更多
Compound C28O4H50·3H2O(Mr = 504. 74) is the orthorhombic space group P212121,wilh a=8. 244(3),b=9. 957(2),c=36. 442(3) A ,V=2991. 4 A3,Z = 4,Dc=1. 123g/cm3,and F(000) = 1120. The structure was solved by direct me...Compound C28O4H50·3H2O(Mr = 504. 74) is the orthorhombic space group P212121,wilh a=8. 244(3),b=9. 957(2),c=36. 442(3) A ,V=2991. 4 A3,Z = 4,Dc=1. 123g/cm3,and F(000) = 1120. The structure was solved by direct methods and refined by full-matrix least-squares to R=0. 064 for 2029 independent reflections with I≥1σ(I). The results showed that the basic structure of C28C4H50 is a 4-carboatomic ring -3 - terpene. There are three water molecules in an asymmetric unit.展开更多
基金National Natural Science Foundation of China(No.2 0 332 0 2 0 )
文摘The electron impact time-of-flight(TOF) mass spectra of the title compounds were studied to establish their fragmentation processes. With the high resolution of the TOF instrument, the exact mass for each fragment was determined. These data were used to infer the molecular formulas and the elemental compositions for all the molecular ions and fragments through software interpretation. By further applying the fragmentation regularity, the majority of ions were fully assigned. The main fragmentation pathways of the title compounds include the formation of molecular ions by the loss of R 1 groups in the 4-position and the ester groups in the 5-position. The formed ion can be further fragmented by the elimination of MeOH.
文摘Compound C28O4H50·3H2O(Mr = 504. 74) is the orthorhombic space group P212121,wilh a=8. 244(3),b=9. 957(2),c=36. 442(3) A ,V=2991. 4 A3,Z = 4,Dc=1. 123g/cm3,and F(000) = 1120. The structure was solved by direct methods and refined by full-matrix least-squares to R=0. 064 for 2029 independent reflections with I≥1σ(I). The results showed that the basic structure of C28C4H50 is a 4-carboatomic ring -3 - terpene. There are three water molecules in an asymmetric unit.
