Österreichisches Technolgiesymposium Oktober 2016, TU Wien. Ion Mobility - from Research to Routine

Transcription

1 Österreichisches Technolgiesymposium Oktober 2016, TU Wien Ion Mobility - from Research to Routine Dr. Mathias Hofmann European Applications Field Support Manager 2016 Waters Corporation 1

2 2016 Waters Corporation 2

3 More Than a Decade of Waters Ion Mobility development 2013 SYNAPT G2Si HDMS Enhancing Workflows (implementing CCS) Dedicated IMS Apps Software (UNIFI TM, MS Compare, Intellistart TM ) 2015 Accessible Ion Mobility 2011 SYNAPT G2S HDMS StepWave 2009 SYNAPT G2 HDMS 2 nd Gen TriWave & QuanTOF 2010 MALDI SYNAPT G2 HDMS HDI Software, ETD 2007 MALDI SYNAPT 2003 First T-Wave IMS qtof 2006 SYNAPT HDMS TriWave, DriftScope 2004 Prototype SYNAPT Q-IMS-Tof 2001 Linear Field IMS 2016 Waters Corporation 3

4 2016 Waters Corporation 4

5 2016 Waters Corporation 5

6 Vion: Comprehensive Auto Setup (automatic, non-subjective, intelligent set-up from a single button push) Task pos neg Detector Setup Mode MassRange m/z calibration CCS calibration Notes 1000 Routine used for TargetEnhancement 1000 Enhanced Res Routine used for TargetEnhancement 1000 Enhanced Res Waters Corporation 6

7 What is CCS? Important differentiating characteristic of an ion Chemical structure (mass, size) Dimensional information (shape) Precise physicochemical value of an ion 2016 Waters Corporation 7

8 CCS Waters Corporation 8

9 Clarity cleaner mass spectra Confidence valuable CCS information for every ion System Productivity with UNIFI analytical workflows 2016 Waters Corporation 9

10 Rethink 4D Peak capacity BPI(XIC) = 2D (UV trace) LC-HRMS = 3D LC- IM-HRMS = 4D FOUR Dimensions 2016 Waters Corporation 10

11 Orthogonality 2016 Waters Corporation 11

12 Clarity precise CCS 3D: Rt CCS Acc Mass 2016 Waters Corporation 12

13 Qtof full scan spectra LE = precursor ions HE = fragment ions 2016 Waters Corporation 13

14 Clarity: Vion IMS-Qtof fill scan spectra LE = precursor ions HE = fragment ions Automatically assigned CID fragment 2016 Waters Corporation 14

15 Vion CCS N2 values Reserpine m/z : 252 Å % RSD LueEnk m/z : 230 Å % RSD Terfenadine m/z : 230 Å % RSD Verapamil m/z : 211 Å % RSD Sulphadimethoxine m/z : 168 Å % RSD Caffine m/z : 136 Å % RSD Data from 400 injections over 33 hours 2016 Waters Corporation 15

16 CCS precision maintained even when analytical needs change (ensures biotransformation scientists are not restricted by legacy methods) 3 min. LC method (design cycle) 13 min. LC method (Discovery/PharmDev) 20 min. LC method (Development/Lifecycle) CCS measured (first appearance) << 2% RSD CCS measured (human safety) 2016 Waters Corporation 16

17 Vion: robust CCS precision (independent of RT, matrix and UPLC conditions) 13 min. LC, dt = 3.04 ms 13 min. LC, dt = 3.03 ms 20 min. LC, dt = 3.03 ms Intra-batch CCS %RSD = 0.10% (m/z , observed CCS in rat urine) 2016 Waters Corporation 17

18 Benefits of Routine Ion Mobility: Trastuzumab tryptic digest LCMS HDMS E runs gradient comparison 5 min gradient 10 min 20 min 2016 Waters Corporation 18

19 Benefits of Routine Ion Mobility 5 min gradient, 89% 20 min gradient, 98% Coverage maps;5 ppm, 2 ions/peptide Incorporating ion mobility enables faster analysis times 10 min gradient, 97% System Productivity 2016 Waters Corporation 19

20 Vion - The benefits Routine ion mobility Clarity cleaner mass spectra Confidence valuable CCS information for every ion System Productivity with UNIFI analytical workflows Accessible to everyone deeper characterisation of complex analytical sample sets more confident compound identification more rapid understanding of scientific information Seamlessly from sample to answers 2016 Waters Corporation 20

21 Vion - The benefits Routine to everyone answers 2016 Waters Corporation 21

22 Clarity cleaner mass spectra Confidence valuable CCS information for every ion System Productivity with UNIFI analytical workflows 2016 Waters Corporation 22

23 2016 Waters Corporation 23

24 2016 Waters Corporation 24

25 RT-independent metabolite tracking: M3 (hydroxylation) (cleaner spectra give confident structural assignment, cleaner XIC even in rat urine matrix) (m/z , Å 2 (CCS %RSD = 0.24%)) 2016 Waters Corporation 25

26 IMS? How does T-Wave IMS work? Separation by Size/ Shape conventional pressure, Field T-Wave IMS Pressure Wave height Wave velocity 2016 Waters Corporation 26