Hydroxylate |
Demethylation (R-CH3 to R-H) |
M1 |
878.5 |
Presence of
ion m/z 307.2 indicates no biotransformation on spiroketal of
IVM-B1a |
|
|
|
|
Presence of ion m/z 551.3 indicates no biotransformation on
cyclohexene cyclic ether of IVM-B1a |
|
|
|
|
Molecular ion reduced 14 Da relative to IVM-B1a indicates
demethylation occurred on the disaccharide (892.5 - 14
Da) |
|
Oxidation (+O) |
M3 |
908.5 |
Presence of ion m/z 307.2 indicates no
biotransformation on spiroketal of IVM-B1a |
|
|
|
|
Absence of ion m/z 551.3 and presence of m/z 567.3 indicate
oxidation on cyclohexene cyclic ether of IVM-B1a (551.3 + 16
Da) |
|
|
M5 |
908.5 |
Absence of ion m/z 307.2 and presence of m/z 323.2
indicate oxidation on spiroketal of IVM-B1a (307.2 + 16
Da) |
|
|
M13 |
908.5 |
Absence of ion m/z 307.2 and presence of m/z 323.2
indicate oxidation on spiroketal of IVM-B1a (307.2 + 16
Da) |
|
Demethylation (R-CH3 to R-H) and oxidation (+O) |
M6 |
894.5 |
Presence of ion m/z 307.2 indicates no biotransformation on spiroketal
of IVM-B1a |
|
|
|
|
Absence of ion m/z 551.3 and presence of m/z 567.3 indicate
oxidation on cyclohexene cyclic ether of IVM-B1a (551.3 + 16
Da) |
|
|
|
|
Molecular ion increased 2 Da relative to IVM-B1a indicates the
combination of oxidation (+16Da) and demethylation (-14Da) where
demethylation occur on disaccharide |
|
|
M9 |
894.5 |
Absence of ion m/z 307.2 and presence of m/z 323.2
indicate oxidation on spiroketal of IVM-B1a (307.2 + 16
Da) |
|
|
|
|
Molecular ion increased 2 Da relative to IVM-B1a indicates the
combination of oxidation (+16Da) and demethylation (-14Da) where
demethylation occur on disaccharide |
|
Dioxidation (+2O) |
M12 |
924.5 |
Absence of ion m/z 307.2 and
presence of m/z 323.2 indicate oxidation on spiroketal of IVM-B1a (307.2
+ 16 Da) |
|
|
|
|
Absence of ion m/z 551.3 and presence of m/z 583.3 indicates two
oxidations on cyclohexene cyclic ether of IVM-B1a (551.3 + 32
Da) |
Monosaccharide |
Loss of monosaccharide |
M2 |
748.5 |
Presence of ion
m/z 307.2 indicates no biotransformation on spiroketal of
IVM-B1a |
|
|
|
|
Presence of ion m/z 551.3 indicates no biotransformation on
cyclohexene cyclic ether of IVM-B1a |
|
|
|
|
Molecular ion reduced 144 Da relative to IVM-B1a indicates loss
of monosaccharide moiety (892.4 -144 Da) |
|
|
M11 |
764.5 |
Absence of ion m/z 307.2 and presence of m/z 323.2
indicate oxidation on spiroketal of M2 (748.5 + 16 Da) |
Ketone |
Ketone formation (R-CH2-R’ to R-CO-R’) |
M4 |
906.5 |
Absence of ion m/z 307.2 and presence of m/z 321.2 indicate
ketone formation on spiroketal of IVM-B1a (307.2 + 14 Da) |
|
|
M7 |
892.5 |
Absence of ion m/z 307.2 and presence of m/z 321.2
indicate ketone formation on spiroketal of IVM-B1a (307.2 + 14
Da) |
|
|
|
|
Molecular ion not changed relative to IVM-B1a indicates
demethylation on disaccharide (892.5 + 14 Da - 14 Da) |
Carboxylate |
Oxidation and ketone formation (+O-CH2+CO) |
M10 |
922.5 |
Absence of ion m/z 307.2 and presence of m/z 321.2 indicate ketone
formation on spiroketal of IVM-B1a (307.2 + 14 Da) |
|
|
|
|
Absence of ion m/z 551.3 and presence of m/z 581.3 indicates
oxidations on cyclohexene cyclic ether of IVM-B1a (551.3 + 14 Da + 16
Da) |
|
|
M8 |
922.5 |
Absence of ion m/z 307.2 and presence of m/z 337.2
indicates carboxy formation on spiroketal of IVM-B1a (307.2 + 30
Da) |