吡咯里西啶生物碱的极ng确质量 Q-TOF LC/MS 及全离子 MS/M

Pyrrolizidine
alkaloids (PAs) and their N
-
oxides (PANOs) have serious hepatotoxic
effects in both humans and animals, necessitating a method capable of detecting,
characterizing, and quantifying them using a robust assay. While triple quadrupole
LC/MS systems are ideal
for targeted detection, targeted analysis requires
standards that are not always easily obtained. Only a fraction of known naturally
occurring PAs are available as standards. Triple quadrupole analyses are also not
useful for screening unknowns. High
-
res
olution mass spectrometers that provide
accurate
-
mass data enable characterization of unknown PAs/PANOs without the
need for specific standards.
This application note presents a workflow that uses accurate
-
mass Q
-
TOF LC/MS,
with All Ions MS/MS and databas
e/mass spectral library searching, for the
selective and sensitive characterization, screening, tentative identification, and
quantification of PAs and PANOs in botanicals and dietary supplements.
Twenty
-
five PA/PANO standards were characterized using
their high
-
resolution
accurate
-
mass MS/MS spectra. These data were used to create a personal com
-
pound database and library (PCDL) that was then used to screen for PAs/PANOs in
44 botanical and dietary supplement samples. Quantitation was performed using
Q
-
TOF LC/MS response. PAs/PANOs not specifically targeted were tentatively
identified using characteristic fragment ions and fragmentation patterns. The
PAs/PANOs characterized could potentially lead to the discovery of more unique
PAs in additional botan
ical and dietary supplement sample
s. 6500 系列四极杆(Q-TOF) 液质联用系统