Anionic Metabolites (Negative Mode) Parameters

Device
LC system: Agilent 1200 series RRLC system SL (Agilent Technologies Inc.)
Column: ODS column 2 × 50 mm, 2 µm
MS system: Agilent LS/MSD TOF (Agilent Technologies Inc.) machine No. 9
Analytical condition
Column Temp:	40 °C
Mobile phase A	H2O/0.1% HCOOH
Mobile phase B	Isopropanol: Acetonitrile: H2O (65:30:5)/0.1% HCOOH, 2 mm HCOONH4
Flow rate	0.3 mL min−1
Run time	20 min
Post time	7.5 min
Gradient condition	0–0.5 min: B 1%, 0.5–13.5 min: B 1–100%, 13.5–20 min: B 100%
MS ionization mode	ESI Negative
MS Nebulizer pressure	40 psi
MS dry gas flow	10 L min−1
MS dry gas temp	350 °C
MS capillary voltage	3500 V
MS scan range	m/z 100–1700
Sample injection	1 µL