Drug Metabolism in Drug Design and Development Basic Concepts and Practice

(Metabolite quantitation) System:

LC–MS on a Shimadzu LCMSQP2010A

LC: L-column ODs semi-micro; 10 mM

ammonium formate pH 3.5 with5–40% methanol

MS detection: SIM mode

Androsterone

System: LC/MS/MS on Micromass Quatro

micro triple stage quadrupole, z sprayESI interface

[M



1]

+

Androsterone sulfate 369

Cawley et al. (2005)

LC: C18 column; 2% aqueous formic acid,

methanol and water in a nonlinear gradient

IS: d

• androsterone sulfate 373 4

MS detection: MRM, negative mode; source

3.5 kV, capillary 200

C

Anisodamine

System: LC–MS and LC/MS/MS on an LCQ

Duo quadrupole ion trap MS, ESI interface

[M

+H]

+

Anisodamine

m/

z^306

Chen et al. (2005)

LC: C18 column; 0.01% triethylamine pH 3.5:

methanol 40 : 60 v/v at 0.2 mL/min

Anisodamine sulfate

m

/z

386

MS detection: ESI, positive mode, source 5 kV,

capillary 200

C

2-amino-1-methyl-6-

phenylimidazo[4,5-b]pyridine (PhIP)

System: LC/MS/MS on a Finnigan LCQ,

ESI interface

[M

+H]

+

PhIP

m/

z

241

Kulp et al. (2000)

LC: YMC basic column; gradient of

water:methanol:acetic acid at 0.2 mL/min

PhIP-sulfate

m/

z^321

MS detection: ESI positive mode, source

4.5 kV, capillary 240

C

Dehydroepiandrosterone

(DHEA)

System: LC–MS on a Hitachi M

1000 LC/APCI MS

DHEA

m

/z

287

Nakajima et al. (1998)

LC: C18 column at 40

C; 5 mM ammonium

acetate and ACN: water 17 : 3 to 13 : 7 v/vover 16 min at 1 mL/min

DHEA-sulfate

m/

z^367

MS detection: SIM, negative mode, source

2 kV, capillary 399

C

IS:

2 H

-DHEA-sulfate 4

m/

z^371

71