Chicago Ultivo VIP Event Agenda - agilent.com · 2 July 10, 2017 Confidentiality Label Chicago...

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July 10, 2017 Confidentiality Label 2

Chicago Ultivo VIP Event Agenda – June 29

Time Topic Speaker

9:00 – 9:15 Welcome and Introductions Bob Walker

9:15 – 9:45 Agilent Innovations in MS Jim Yano

9:45 – 10:30 Introduction to Ultivo: How can smaller be better

Terry Sheehan

10:30 – 11:00 Break

11:00 – 11:30 Introduction to Ultivo: How can smaller be better

Terry Sheehan

11:30 – 12:15 Infinity II Prime and portfolio intro Lori Sandford (LC AE)

12:15 – 1:00 Lunch and Ultivo show & tell Agilent

Agilent Innovation in Mass Spectrometry

Jim Yano Vice President Marketing Mass Spectrometry Division

First Tandem Quadrupole Mass Spectrometry

4

TSQ 4X 1980-1986

US Patent 4234791 A

Inventors: Christie G. Enke, Richard A. Yost & James D. Morrison

Filed: 1978

2006

2008

2011 2014 2017

6410

AJS

6430 6420

iFunnels

6410 First Agilent introduction into the LC/TQ market

6460 In 2008, Agilent introduces “Jet Stream Technology” in conjunction with the launch of the 6460

6420 ESI-driven entry-level, LC/TQ system

6470 Mid-range, highest performance LC/TQ system for routine quanitation

6430 Launch “new” entry level LC/TQ with ESI ion source

2009

2010

6490 First Agilent “high-end” LC/TQ SYSTEM – 6490 with iFunnel technology and hexabore capillary

2012

6460C

6460C Improved 6460 with ESI as standard ion source

6495A

6495A 2nd-generation iFunnel high-end LC/TQ system

2015

6470A

6495B

6495B 3rd-generation high-end iFunnel LC/TQ system with incorporation of a gate valve assembly for ease of maintenance and superior uptime

Agilent: Sustained Innovation in Triple Quad LC/MS

5

6

Innovation With Purpose

Developed for Today’s Users of Mass Spectrometry

Recent Mass Spec Introductions

Innovation with purpose

7

• 6495B iFunnel LC/TQ

• Intuvo 9000 GC/MS (SQ & TQ)

• 6545XT AdvanceBio LC/Q-TOF

• InfinityLab LC/MSD (SQ)

• 7250 GC/Q-TOF

8

Intuvo 9000 GC/MS

A completely re-imagined integrated system of GC consumables,

MS services & software

9

Intuvo 9000 GC Innovations

Disposable guard chip

No-trim column

Direct heating

Modular Intuvo flow chips

Ferrule-free click-and-run connections

10

Innovation With Purpose Disposable

guard chip

No-trim column

Direct heating

Modular Intuvo flow chips

Ferrule-free click-and-run connections

Save money

• Less space – Less power

Increase through-put

• Faster heating – Faster cooling

Avoid downtime

• Leak free connections

• Consistent retention times

11

BioPharma Workflows

Intact Proteins mAb Subunits Peptide Mapping PTMs • Disulfide Mapping • Glycan Characterization • Deamidation • Methionine Oxidation

ADCs

12

6545XT AdvanceBio LC/Q-TOF

For Research Use Only. Not for use in diagnostic procedures.

For large biomolecules

• SWARM autotune

• Mass range to 30k m/z

• 50K resolution

No-vent maintenance

13

Intact Protein Raw Spectral Quality

Analytical Sensitivity and Dynamic Range of Glycosylated Intact mAb

Linear Range: > 3.2 orders (0.0316->50ng)

Intact Protein Deconvolved Mass Accuracy and Isoform Detection

10’s of Samples? 100’s of Samples? 1,000’s of Samples? OK!

For Research Use Only. Not for use in diagnostic procedures.

Exceptional Data

Robust Operation

14

Kevin Bateman, PhD Distinguished Scientist Pharmacokinetics, Pharmacodynamics and Drug Metabolism (PPDM) Merck

Agilent ASMS User Meeting Keynote: Enabling BioTherapeutic Discovery and Development Through Application of Advanced Mass Spectrometry

“I have been impressed with the data quality from the new 6545XT Q-TOF and expect the instrument to have a significant impact on our growing LC-MS based protein quantitation workflows.”

15

CrossLab Service

AssayMap Bravo Sample Preparation 6545XT AdvanceBio

LC/Q-TOF

1290 Infinity II UHPLC

AdvanceBio Columns

MassHunter Walkup

BioConfirm ADC-DAR

Calculator

Productive Workflow is More Than an MS

16

BioConfirm BioPharma Workflows

MS expertise NOT required!

Press the green button

Answer five questions about your sample

BioConfirm will tell you how well the protein was confirmed, along with reports and results

Tell BioConfirm how you prepared the sample; then collect the report!

• Quantitation of glycoforms

• Quantitation of other PTMs

• Identification of released glycans

17

BioConfirm B.09 Responding to

Our Customers

High Resolution Accurate Mass: Q-TOF for GC/MS

18

7250 GC/Q-TOF Defined by Agilent Collaborators

Collaborators Wanted MORE!

19

Industry collaborator

Industry collaborator

20

7250 GC/Q-TOF

Improved Performance

• Higher resolution

• Better mass accuracy

• Wider dynamic range

Reproducible EI Spectra

• NIST searchable

High Sensitivity EI Source

• Sensitive Low Energy EI with less fragment ions

21

7250 GC/Q-TOF Exceed method requirements even in very complex matrices

Achieved by combining:

• Higher mass resolution

• Higher ion count from High Efficiency Source (HES)

7250 GC/Q-TOF

0.8 ppm (0.15 mDa) R=24645

7200B GC/Q-TOF

Not Detected

Analyte level: 5 ppb 2X below 10 ppb MRL

Low Energy EI Compound Identification in Complex Matrix

22

70 eV matrix: gas oil



3,5-dimethylbenzothiophene

M+

Low eV selectivity

CI-like spectra

M+ precursor for MS/MS

HES (High Efficiency Source)

sensitivity

Unbelievably Powerful and Remarkably Small

23

Triple Quad LC/MS

24

Confidentiality Label

What We Heard

Make it… Small Robust Easy Smart Don’t

Compromise Performance

Ultivo

Triple Quad

Infinity II

HPLC Stack

Ultivo Triple Quadrupole LC/MS The Ultimate Evolution in Quadrupole LC/MS/MS

79 cm

31.1 in

39 cm

15.4 in

32 cm

12.6 in

25

Ultivo

Triple Quad

Infinity II

HPLC Stack

5 feet

Ultivo Triple Quadrupole LC/MS The Ultimate Evolution in Quadrupole LC/MS/MS

6460 LC/MS System

26

15.4 inches

Ultivo Innovation Goals: Space-saving, Sensitive, Robust & Serviceable

Agilent Jet Stream

Ion Source

VacShield (no-vent maintenance) Vortex Collision Cell

(twisted hexapole)

HED Detector (accessible in stack)

Cyclone Ion Optics (dual twisted hexapoles)

Hyperbolic

Quadrupoles (proprietary process)

Virtual DC Filters (ultra thin)

27

28

Pain Points: Confirm and Establish Priority

Frost & Sullivan Survey Commissioned by Agilent

700 Managers

5 Markets Pharma + Biotech Chemical + Energy + Mining Food + Flavors + Fragrances Environmental Diagnostics + Clinical (Hospital)

ASMS 2017

A NEW Era in LC/MS

29

Terry L. Sheehan, PhD Director MS Business Development

Typical LC/TQ Instrumentation

Collision Cell

Detector

Source & Ion

Transfer Optics

Quadrupoles

Ultivo: Innovating Ion Optics, Mass Analyzer & Detector

Pain points

Make them

go away

ASMS 2017

Labs are crowded!

Space is expensive!

The mass spec is

on the bottom of

the cart

Bigger is NOT

always better

ASMS 2017

Approximately 20% of lab managers

consider size/footprint to be a challenge

directly affecting their lab performance

Approximately 20% of lab managers consider size/footprint to be a

challenge affecting their laboratory performance. Of those, 75% believe

space-saving designs of instruments can help overcome this challenge.

Confidentiality Label

Downtime Globally, 75% respondents find

‘instrument maintenance/downtime’ to

be their biggest challenge in managing

their laboratories

93% of respondent emphasized the

important of ‘ease of maintenance and

repairs’

Maintenance

Quick Change Ion Injector

Fast Ion Injector exchange without system venting

VacShield

Easy to use, increased throughput, less downtime for maintenance

Ion Injector

Tool

Ion Injector Installed

Quick Change Ion Injector

Fast Ion Injector exchange without system venting

VacShield

Easy to use, increased throughput, less downtime for maintenance

Ion Injector

Tool

Ion Injector Removed

Easy Change Detector Assembly

Pre MS1 Ion Beam Compressor – “Cyclone Ion Guide”

Dual Twisted/Tapered design enhances

overall performance minimizing ion losses

• Convergence section – Allows greater ion

acceptance

• Parallel section – more focused ion beam

• Outer rods – increased high m/z transmission

efficiency (additional confinement)

• Resistive rods – DC bias to gently pull ions

towards the exit

• More ions, increased signal, better results

.


• Outer rods – increased high m/z transmission efficiency (additional

confinement)


Twisted/Tapered design enhances overall

performance minimizing ion losses

• Convergence section – Allows greater ion

acceptance

• Parallel section –more focused ion beam

• Outer rods – increased high mass

transmission efficiency (additional

confinement)

• Resistive rods – DC bias to gently pull ions

towards the exit

• More ions, increased signal, better

results

.

0 200 400 600 800 1000 1200 1400 1500

m/z

1.2

1.0

0.8

0..6

0.4

0.2

0

Fra

ction i

ons i

n/o

ut

Cyclone Transmission vs m/z – outer rods off

0 200 400 600 800 1000 1200 1400 1500

m/z

1.2

1.0

0.8

0..6

0.4

0.2

0

Fra

ction i

ons i

n/o

ut

Cyclone Transmission vs m/z – outer rods on

Virtual DC Pre/Post Filters

• Filters reduce fringe fields

• Reduce ion scatter (and losses)

• Virtual filters are 1mm width

• RF Brubaker filters = 20mm

• DC potentials

• Faster changes

3X filters = 57 mm shorter

Quicker switching Faster MRMs

poles

Virtual

Filter


Maximum ion

transmission at

entrance and exit

of quadrupoles

Virtual

Filter


• Filters reduce fringe fields (ion scatter)

• Virtual filters are 1mm width

• RF Brubaker filters = 20mm

• DC potentials changed faster

3X filters = 57 mm shorter

Quicker switching Faster MRMs

Maximum ion transmission at

entrance and exit of quadrupoles

M/Z 118

M/Z 622

M/Z 922

M/Z 1222

M/Z 118

M/Z 622

M/Z 922

M/Z 1222

5% transmission

at 0.7 resolution

13,000 counts

30% transmission

at 0.7 resolution

300,000 counts! N

orm

aliz

ed a

bundance

FWHM

Norm

aliz

ed a

bundance

FWHM

RF Filter Virtual DC Filter

0.7

10% 10%

0.7

Virtual

Filter

Redesigned Hyperbolic Quadrupole

Quadrupole field performance

defined by:

• Electrode shape

• Radius

• Length

• RF Frequency

• RF/DC Voltages

R # RF cycles

(Length)

Mathieu Stability Diagram

July 10, 2017

ASMS

47



defined by:

• Electrode shape

• Radius

• Length

• RF Frequency

• RF/DC Voltages

(Hyperbolic) (Smaller)

(Shorter)



defined by:

• Electrode shape

• Radius

• Length

• RF Frequency

• RF/DC Voltages

(Hyperbolic) (Smaller)

(Shorter)

(Increased) (Increased)


A quadrupole’s performance

are defined by the following:

• Electrode shape (Hyperbolic)

• Radius (Smaller)

• Length (Shorter)

• Frequency (Increased)

• Voltage (Increased)

Higher frequency and voltage

allows excellent mass resolution

for a smaller, shorter quadrupole

Vortex Collision Cell Taper – maximum ion collection from Q1

and collimates into Q2

Twist – optimal pressure and

fragmentation of ions at front, higher

pressure for cooling and compression of

ion in the middle

Resistive rods - prevents crosstalk by

applying a DC-bias

Openings at exit - enables fast pressure

drop to reduce ion scattering Optimum Ion Transmission and

better MS/MS performance

Vortex Collision Cell

• Significantly shorter (60 mm

less) collision cell affords

reduced bench space

• Operates at multi-frequency

for broad range transmission

6460 30 eV (Reserpine)

Ultivo 30 eV (Reserpine)

Dodecapole

Similar

Product Ion

Spectra

Newest Pain Point Is

Just as Problematic . .

.

50% 45%

DATA

ASMS 2017

50% of respondents list “better data management” among top 5 challenges

45% of respondents indicated that they face significant pressure to process more samples per week – in

turn, increasing the challenges associated with data management

Software is a Critical Component of the User Experience

Usability

Design

Human Factors

System Performance

Accessibility

Rob Ley

MassHunter Product Manager

Acquisition and Quant

55 Ultivo LCGC Webinar 10 July 2017

MassHunter Acquisition for Ultivo C.01.00

Familiar Look and Feel

10 July 2017

Ultivo LCGC Webinar

56

Familiar Look and Feel

10 July 2017

Ultivo LCGC Webinar

57

Clear Callouts When There is a Problem…

10 July 2017

Ultivo LCGC Webinar

58

Ultivo Specific Features

10 July 2017

Ultivo LCGC Webinar

59

What is Quant-My-Way?

- Simplifies the MassHunter Quant User Interface

- Customize based on method requirements

- Ideal for routine operation

- Speeds up user learning and operation

“Customized MassHunter Quantitative Experience”

Benefits of the "OpenLAB UI" Ribbon

Menus that were once buried are now visible and easily accessed

Related commands are grouped together under labelled group

Hierachical menus are eliminated

Most items are "result oriented" meaning they provide galleries of options

Ribbon shows everything in one toolbars separated by tabss

July 10, 2017

66

MassHunter Quant “Vanilla” Flavor Simplified UI

1. New Batch + Add Samples 2. Load Method 3. Analyze + Report

Custom Button

Ultivo Applications

Specifications G6420 G6460 AJS

Sensitivity, Instrument

Detection Limit (IDL)

Positive, Reserpine

> 60 fg < 12.5 fg

Mass range 5 – 2,250 Da 5 – 3,000 Da

Maximum scan speed 12,500 Da/sec 12,500 Da/sec

Maximum MRM rate 450

MRMs/sec

450

MRMs/sec

Minimum MRM dwell time 1.0 ms 1.0 ms

Polarity switching ≤ 30 ms ≤ 30 ms

Specifications Comparison

July 10, 2017

Ultivo Internal Sales and Competition

68

Ultivo Applications

• Automated Online SPE/Triple Quad LC/MS Analysis of Trace Organic Contaminants in Drinking Water

• Analysis of Per/Polyfluoroalkyl Substances (PFASs) in Water using the Ultivo Triple Quad LC/MS

• Multi-Residue Pesticide Analysis in Food Matrices Using Ultivo Triple Quad LC/MS

• Analysis of Multiple Mycotoxins in Corn, Peanut and Black Pepper Employing the Ultivo Triple Quadrupole LC/MS

Food Applications

Mycotoxin Analysis in Foods

• Mycotoxin screening is a common analysis for a

food laboratory

• Toxic byproducts of fungi on crops.

• Found in many types of foods. o Grains

o Nuts

o Spices

o Fruits and vegetables

o Dairy

• Mycotoxins are regulated around the world. o Maximum Residue Limit (MRL) range from <1ppb to

>1000 ppb

o EU reg No. 1881/2006 and 105/2010


• Mycotoxin screen in foods

• 12 mycotoxins in corn and peanut matrix

• 5 mycotoxins in black pepper matrix

• 1290 Infinity II HPLC

• 10 minute gradient method

• Column: Eclipse Plus C18 3.0x150mm,

1.8um

• Mobile Phase: Water and Methanol,

• 0.5mM NH4F

• 5 mM NH4 formate

• 0.1% Formic Acid

• Flow Rate: 0.450 ml/min

Corn Peanut Black

Pepper


12

10

3

1

2

1

0

2

4

6

8

10

12

14

Corn Peanut Black Pepper

# o

f M

yco

toxi

ns

Matrix

1/5 MRL

1/10 MRL

1/20 MRL

• Ultivo Triple Quad MS • Dynamic MRM

• Quantitation limit 20x lower

than MRL for most compounds

Limit of Quantitation


9 9

2

3 3

3

0

2

4

6

8

10

12

14


# o

f M

yco

toxi

ns

Matrix

RSD 5-10%

RSD 0-5%

Aflatoxin B1200pptRSD%: 1.75Avg. S/N: 326

Aflatoxin B1200pptRSD%: 2.34Avg. S/N: 169

Aflatoxin B1500pptRSD%: 5.65Avg. S/N: 53.6


• 6 replicate injections at LOQ • RSD<10% at quantitation limit for

all mycotoxins • RSD<5% at quantitation limit for

most mycotoxins.

• Aflatoxin B1 • EU MRL:

• 2 ppb corn and peanut • 5 ppb black pepper

10x lower than MRL

Precision

Pesticide Analysis in Foods

• Pesticides in Foods

Crop productivity and success

× Pesticides in food

• Need to screen hundreds of pesticides in one method.

• MRL: 10ng/g


• 246 pesticides post-spiked into matrix.

• Extracted with Agilent EN QuEChERs with different clean-up for each matrix:

• 1290 Infinity II HPLC • Column: Eclipse Plus C18 3.0x150mm,

1.8um

• Mobile Phase: Water and Methanol,

• 0.5mM NH4F

• 4.5 mM NH4 formate

• 0.1% Formic Acid


• Ultivo Triple Quad MS

• Dynamic MRM

Avocado Orange Black Tea

PSA Kit Modified

EMR-Lipid

Dispersive SPE -

pigment


• Outstanding sensitivity

• LOQ 1ng/g and 5ng/g for most

compounds

• Excellent Precision

• RSD% below 20% for >98% of the

compounds

230

151

217

2817

222

4 30

50

100

150

200

250

1ng/g 5ng/g 10ng/g 20ng/g

# o

f p

esic

ides d

ete

cte

d

Pesticides Spike Levels

Avocado

Orange

Black Tea

124

82

31

81

145

74

23

2 1

137

74

25

83

0

40

80

120

160

1-5% 5-10% 10-15% 15-20% >20%

Nu

mb

er

of

Pesticid

es

%RSD

Avocado

Orange

Black Tea

Environmental Applications

79

Trace Organic Compounds in Drinking Water

10 July 2017

Ultivo Introduction - Internal Applications

80

• Trace Organic Compounds (TOrCs) not completely

removed from wastewater and drinking water

treatment.

• Stable and common compounds

• Sourced from both industrial and household wastes

• Pharmaceuticals Ibuprofen, Carbamazepine

• Personal care products Benzophenone, DEET

• Industrial compounds Benzotriazole, BPA

• Pesticides Atrazine

10 ppt, 750 µL injection

7.92

8.25

8.36 8.588.79

8.83

9.23

9.30

9.40

9.47

9.58

9.65

9.98

9.60

9.93

10.00

9.34

10.56

10.51

10.55

10.57

10.71

10.98

11.18

11.28

11.36

11.52

11.91

12.20 12.24

Abundance

Trace Organic Compounds in Drinking Water • 31 representative TOrCs • 1260 Infinity II HPLC

Column: Zorbax Eclipse plus C18 3.0x50mm, 1.8µm

Mobile Phase: H2O and ACN, 0.2mM NH4F Flow Rate: 0.350 ml/min

• Flex Cube Online SPE • 750ul injection volume. • No bench-top sample pretreatment. • SPE Cartridge: Zorbax Extend C18,

4.6x12.5mm, 5µm • Load: H2O, 0.1% Formic Acid • Elution: 1:1 ACN/IPA

• Fast 16 min total!

Trace Organic Compounds in Drinking Water

• Ultivo TQ MS • Sensitivity enhanced further with Agilent

Flex Cube Online SPE.

• No complex sample preparation needed.

• Quantitation Limit <0.5-5 ng/L for

most analytes.

• High linearity with R2 >0.99 for

quantitation range 0.5-200ng/L

a b

c

<0.5 ng/ L, 19 TOrCs 0.5 - 5 ng/ L, 10 TOrCs

>5 ng/ L, 2 TOrCs

a b

c

Per/Poly Fluoroalkyl Substances (PFAS) in Water

• PFASs are sourced from:

• Fire-fighting foams

• Non-stick cookware

• Food packaging

• Ubiquitous in the environment (groundwater contaminant)

• USEPA drinking water health advisories limit PFOA and PFOS at 70 ng/L

• US state public health guidelines for PFASs 20-400 ng/L in drinking water.


• 17 PFASs in drinking water.

• All 14 from USEPA 537 method.

• 250mL water samples.

• Extracted with Agilent Weak Anion Exchange

(WAX) cartridges.

• 1290 Infinity II LC • Pre Column: Zorbax Eclipse plus C18 4.6x50mm, 3.5µm

• Analytical Column: Zorbax Eclipse plus C18 3.0x50mm, 1.8µm

• Mobile Phase: H2O and 95:5 MeOH/H2O, 5mM Ammonium Acetate


• Runtime: 19 minutes

• Ultivo Triple Quad MS in negative ionization mode.


• Recovery 70-120% for all compounds at

1 µg/L and 5 µg/L spiking levels

• Excellent Linearity, 0.1 – 20 µg/L, R2

>0.99.

• RSD%: 0.3-10.8% for all compounds at

both spiking levels (5 replicates).

PFB

A

PFP

eA

PFB

S

PFH

xA

PFH

pA

PFH

xS

PFO

A

PFN

A

PFO

S

PFD

A

N-M

eFOSAA

PFD

S

PFU

dA

N-E

tFOSAA

PFD

oA

PFTeD

A

PFTrD

A

0

25

50

75

100

125

1 g/L Post Spike

5 g/L Post Spike

Re

co

ve

ry (

%)

PFOS PFOA

Ultivo TQ LC/MS Application Briefs

Visit Agilent.com for more information about these 4 Ultivo applications

The NEW Ultivo Triple Quad LC/MS

•Optimal sensitivity; Superb robustness

•Enhanced usability; Easy maintenance

•All the performance you need in a much smaller package

Unbelievably Powerful Remarkably Small!

Pharma, Life Sciences,

Research and Ultimate

Sensitivity Applications

Commercial,

Regulatory, Life

Sciences and Research

High-Throughput

Applications,

Commercial

Laboratories

LC/TQ Portfolio Goal

• Easy to Use and Maintain

• Robust

• Small footprint

• Integrated into HPLC stack

• Sensitivity aligned with

regulatory requirements

• Powerful

• Robust

• Sensitive

• Versatile

• Sensitivity exceeds most application

and regulatory agency requirements

• Ultimate sensitivity

• Cutting edge research

• Pharma development

• Biopharma

• Government and Academic

Research labs

Ultivo 6470 6495

July 10, 2017

Ultivo Internal Sales and Competition

89

The NEW Ultivo Triple Quad LC/MS

•Optimal sensitivity; Superb robustness

•Enhanced usability; Easy maintenance

•All the performance you need in a much smaller package

Unbelievably Powerful Remarkably Small!

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Chicago Ultivo VIP Event Agenda - agilent.com · 2 July 10, 2017 Confidentiality Label Chicago...

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