Mass Spectrometry Frequently Asked Questions Dr. Markus Wunderlin, Seminar 07.07.2004.

Mass SpectrometryFrequently Asked Questions

Dr Markus Wunderlin Seminar 07072004

Overview

Mass Spectrometry in a Nutshell - Facts and Basics

Mass Resolution and Mass Accuracy

Fragmentation ndash Dissozation ndash Adduct Formation

Impurities - Contamination - Artefacts

FTICR-MS The bdquoFerrari Ageldquo Of MS

Mass Spectrometry

A technique for measuring and analyzing molecules that involves introducing enough energy into a

(neutral) target molecule to cause its ionization and disintegration The resulting primary ions and their fragments are then analyzed based on their mass charge ratios to produce a molecular fingerprint

Facts and Basics

Difference Between Spectrometric Methods

Ionization implies a chemical process induced by physical methods The sample is consumed during

the measurement Their is no defined stimulation of molecular energy levels through interaction with electromagentic radiation where you can get the

sample back without modification

Facts and Basics

Structural Information by MS

MW determination nominal accurate (elemental composition)

Isotope patternHigh resolution

FragmentationFragmentation rulesLibraries (bdquofittingldquo)MSMS (or MSn)

Components Of A Mass Spectrometer

Ionisation Ion DetectionIon Separation

Ion Source Mass Analyser Detector

Electron Ionisation (EI)

Chemical Ionisation (CI)

Fast Atom Bombardment (FAB)

Electrospray Ionisation (ESI)

Matrix-Assisted LaserdesorptionIonisation (MALDI)

Quadrupole

Magnetic Sector Field

Electric Sector Field

Time-Of-Flight (TOF)

Ion Trap

Electron Multiplier

Multichannel plate

Faraday Cup

Sektion MS Mass Spectrometers

EI CI ESI APCI MALDI FAB MSMS Inlet Status

Bruker Reflex III + PSD

Finnigan SSQ7000 + + + GC SP DEP

Finnigan TSQ700 (+) (+) (+) + + GC SP DEP

Finnigan TSQ7000 + Nano-ESI

Sektion MS Info amp Data

Homepage bdquoSektion Massenspektrometrieldquo

httpwwwuni-ulmdeunifaknatwisoc2massenspektrometrieindexhtm

FTP-Server

for data collection (MALDI EI CI FAB) like the NMR-service

Server 134606396UsernameOC2PWMaldi


MS Software

Software for MALDI data analysis

Bruker Data Analysis 16d

Software for EI CI and FAB data analysis

ACD Labs MS Processor

What type of analysis is needed

Ionization methods MALDI EI CI (FAB) (ESI)

ndash I will select the ionization method unlessbull you have previous success with a methodbull duplicating literature methods

- Analyses are low resolutionbull confirms presence of analytebull for high mass compounds (mw gt10000) I try to obtain the best

resolution possiblebull for high mass accuracy internal calibration (standard external

calibration)


Which MS method is best for the compound I want to analyze

Molecular weigthSolvent amp solubilityPurityReactivityWould it distill or sublime under HiVac One compound or mixtureAcidic BasicIonic

Ionization Methods

Neutral species Charged species

bull Removaladdition of electron(s)ndash M + e- (M+) + 2e-

bull electron ionization

bull Removaladdition of proton(s)ndash M + (Matrix)-H MH+ + (Matrix)-

bull chemical ionization (CI)bull atmospheric pressure CI (APCI)bull fast atom bombardment (FAB)bull electrospray ionization (ESI)bull matrix assisted laser desorptionionization (MALDI)

Matrix Assisted Laser Desorption


TOF ParametersSimple cheap (in theory) robust sensitiveA good modern TOF should give1048766 gt10k Resolving power1048766 ~1-10 fmol sensitivity (single scan)1048766 ~10 ppm mass accuracy internally calibrated (5 ppm if the peak is particularly large or clean)1048766 gt1000 scanssecond1048766Unlimited mass range

Matrices

Matrix

189-Trihydroxyanthracen(Dithranol) polymers

25-Dihydroxy benzoic acid(DHB)

proteins peptides polymers

-Cyano-4-hydroxycinnamic acid

peptides (polymers)

4-Hydroxypicolinic acid oligonucleotides

Trans-Indol-3-acrylacid(IAA)

polymers

OH OH OH

OH

OH

COOH

C CH

OH

CN COOH

N

OH

COOH

NH

COOH

Sample Preparation Dried Droplet

solved Matrix solved sample

Mixing and Drying

Sample Preparation Thin Layer

solved Matrix

solved sample

fastdrying

thin homogenuouslayer of crytslas

Drying

Guide to Sample Preparation

Reflector

Through ionisation there is an activation energy distribution (energy- position- and time uncertainty electronic repulsion energy shielding effects)

Electric field after the field free drift region that reverses the direction of travel of the ion (reflects)

Ions with same mz ratio but higher kinetic energy penetrate deeper into the reflector delaying their time of arrival at the reflector relative to the slower low-energy ions

Improved resolution increase in mass accuracy

Principle Of Reflector-TOF

acceleration region Field free drift region

sample target

1 2 1 22

1

1 21

2

reflector

m = mE lt E

12

12

mz

detector

Electrospray (ESI)

Mass Analyzer Quadrupole (Q)

Four parallel rods or poles through which the ions being separated are passedPoles have a fixed DC and alternating RF voltages applied to them

Depending on the produced electric field only ions of a particular mz will be focused on the detector all the other ions will be deflected into the rods

Scanning by varying the amplitude of the voltages (ACDC constant)

Resolution

Ability of a mass spectrometer to distinguish between ions of different mz ratios

R=mΔm Δm is the mass difference between two

adjacent peaks that are just resolved m is the mass of the first peak (or the

mean mass of two peaks) although this definition is for two

peaks it is acceptable to measure the resolution from a single peak (MALDI-TOF) In that case

Δm is the width of the peak at half maxima (FWHM) of the peak corresponding to m

Resolution

If we have 5000 resolution on a mass spectrometer we can separate mz 50000 from mz 50010 or

separate mz 100000 from mz 100020 or separate mz 1000000 from mz 1000200 (all down to a 10 valley between the two peaks)

Cyclo[12]thiophen

S

S

SS

S

S

S

SS

SS

S

1654 1656 1658 1660 1662 1664

16616

16606

16596

16586

16566

16576

1300 1400 1500 1600 1700 1800 1900 20000

500

1000

1500

2000

2500

3000

16576

Inte

nsity

mz

Mass Spectra of Cyclothiophen

Mass Spectra of Angiotensin

1040 1045 1050 1055

104620 (monoisotopic)

104756 (average)

Reflektor

DE

linear

mz

bdquoMassesldquo

Average MassThe sum of the average of the isotopic masses of the atoms in a molecule eg C = 1201115 H = 100797 O = 159994 Monoisotopic MassThe sum of the exact or accurate masses of the lightest stable isotope of the atoms in a molecule eg C = 12000000 H = 1007825 O = 15994915

Nominal Mass The integral sum of the nucleons in an atom (also called the atomic mass number) eg C = 12 H = 1 O = 16

Mass spectra of Angiotensin I

130413021300129812961294

100

90

80

70

60

50

40

30

20

10

Mass (mz)

average mass 129750248

I

130413021300129812961294

100

90

80

70

60

50

40

30

20

10

0

Mass (mz)

monoisotopic mass 129668518

12C62H90N17O14

12C6113C1H90N17O14

12C6013C2 H90N17O14

12C5913C3H90N17 O14

I

R = 1000 R = 5000

Simulated Spectra of Bovine Insulin

resolution 4000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 30000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 12000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 5000000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

Instrument Resolution and Mass Accuracy

(Theoretical MW -Measured MW)ppm = X 10 Theoretical MW

Instrument Mass Range

mz

Resolution(at mz 1000)

Accuracy (Error)(at mz 1000)

GCMS (Quadrupole)

To 2000 Low Resolution

Sector To 4000 50000-100000 00005 (5 ppm)

MALDITOF To 400000 15000 (Reflectron)

0006 (60 ppm) ext Cal

0003 (30 ppm) int Cal

FTICR To 4000 To 3000000 00001 (1 ppm)

Calibration

bullInstrument calibration performed well before sample analysis

ndash EICI GC-MSndash FABndash ESI

bull Performed immediately before sample analysisndash MALDI-TOF

Calibration

Compounds used for calibration includendash PEG PBM peptides proteins PFTBA CsI

External Calibration mz scale is calibrated with a mixture of molecules with different molecular weights after that the analyte is measured Internal Calibration Analyte and a mixture of molecules with different molecular weigths are mixed and measured together Then the spectrum is calibrated by assigning the right masses to the well known calibration standards (perfect mass of analyte is between the mass of two standards)


Comparison of Ionization Methods

EI CI ESI MALDI FAB

Additional mass due to Positive Ionisation

No YesH Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)

Loss of mass due to negative ionisation

- NoLoss of H(-1) Loss of H(-1)

Loss of H(-1)

Number of charges added 1 1

1-many (dependent upon mass)

1-2 1-2

Matrix peaks No No Yes Yes No

Singly- doubly- triply- etc charged ion Molecule or molecular moiety which has gained or lost respectively one two three or more electronsprotons


Dimeric ionIon formed when a chemical species exists in the vapour as a dimer and can be detected as such or when a molecular ion can attach to a neutral molecule within the ion source eg [2M+H]+

Cytochrom C MALDI ESI

Adduct ions An ion formed by interaction of two species usually an ion and a molecule and often within an ion source to form an ion containing all the constituent atoms of one species as well as an additional atom


640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6

Cluster ionAn ion formed by the combination of two or more atoms ions or molecules of a chemical species often in association with a second species


1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-

Negative- ion FABof matrix glycerol

Fragment ion An electrically charged dissociation product of an ionic fragmentation Such an ion may fragmentate further to produce other electrically charged molecular or atomic moieties of successively lower formula weight

Fragmentation Break Of Covalent BondDissociation Break of Non-covalent complex


bdquoHardldquoIonisation

bdquoSoftldquoIonisation

EI CI MALDIFAB ESI






EI CI MALDIFAB ESI


New SoftwareACDMS Fragmenter

predicting of possible schemes of mass spectral fragmentation for chemical structures

Selection fragmentation-rule parameters to mimic different ionization techniques that range from EI to low energy protonation techniques such as ESI or APCI

Recognition of fragments within an aquired mass spectra


1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz

TMS-protected complex deprotected complex

N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N


Impurity eg antioxidantia in organic solvents side products not separated after synthesis additional components after insufficient isolation from biological material

ContaminationCompound which was putinto the sample subsequently eg through chromatographic column

ArtefactMS-specific bdquokey ionsldquo eg CI with CH4 as ionisation gasCH4 + e- CH4

+bull (formation of primary ion)CH4

+bull CH3+ + Hbull

CH3+ + CH4 C2H5

+ + H2 formation of adducts with mz +28


Contamination

SourceDetection

EI CI FAB MALDI ESI

Alkali salts Solvents glas etc - ++ ++++

Heavy metal salts

Sample vessels HPLC pumps

- ++ ++

Alkyl(benzol)sulfonate

Columns IE detergents

- ++ -+

Alkylammounium salts


- ++ ++++

HC Grease + + ++

Polyphenylether

Grease pump oil + + ++

Longchain carbonic acids

Chromatographic columns

++ + (+)(+)

Siloxane Silicon grease DC plate plastic

++ + -(+)

General Sample Handling

Mass spectrometry is a sensitive technique (for impurities and contamination too)

Sample Storagendash Glass vials can leach salts (NaK) into samplendash Ideal storage vial is siliconized polypropylene tubes

Use Freshly prepared high purity reagents and water

Omit high concentrations of buffer salts ( NaCl KH2PO4) Detergents (Tween Triton SDS)Urea guanidine salts Cleaning of the sample dialysis RP-HPLC Zip-Tips ion

exchange

Use of removable buffer salts (zB NH4Ac)

Use of removable solvents like water acetonitrile methanol




exchange



Mass Spectra of Synthetic Polymers

Information monomer unit end group average masses

Mn = (NiMi) MiMw = (NiMi2) (NiMi)

polydispersity D = MwMn

ProblemsSynthetic polymers are polydisperse bad signal-noise-ratio bdquomass discriminationldquodetector saumlttigung at D gt 11Polymers without ionisationable functional groups metal ion add-onzB Polystyrol Ag+ PEG Na+ K+ etc

Mass Spectra of Synthetic PolymersMass Spectra of Synthetic Polymers

2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s

CH -O-C-CH -CH-C-CH -CH-C-O-CH3 2 2 3

O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode

CH-(CHO)-OH+Na324x+1067

11111155

1199

1023

979

935 1243

15 + 44x+17 +23


New aspects in mass spectrometry

Hybrid Mass Spectrometers

Perhaps hundreds of hybrids have been exploredSome of the more successfulTriple quadrupoleIT-TOFQ-TOFQuadrupole-FTMSTOFTOF


FT-ICR-MS

FT-ICR-MS instrument general scheme

Fouriertransform-ICR New Dimensions of High Performance Mass Spectrometry

A high-frequency mass spectrometer in which the cyclotron motion of ions having different mz ratios in a constant magnetic field is excited essentially simultaneously and coherently by a pulse of a radio-frequency electric field applied perpendicularly to the magnetic field

The excited cyclotron motion of the ions is subsequently detected on receiver plates as a time domain signal that contains all the cyclotron frequencies excited

Fourier transformation of the time domain signal results in the frequency domain FT-ICR signal which on the basis of the inverse proportionality between frequency and mz ratio can be converted to a mass spectrum

The ions are to be detected with a selected mz ratio absorb maximum energy through the effect of a high-frequency field and a constant magnetic field perpendicular to it Maximum energy is gained by ions that satisfy the cyclotron resonance condition and as a result these are separated from ions of different masscharge

FTICR New Dimensions of High Performance Mass Spectrometry

High mass resolution gt 3 000 000

Accuracy of mass determination lt 01 ppm Sensitivity (ESI Octapeptide) ca 50 attomol

Structure-specific fragmentation MSMS MSn


Ions are trapped and oscillate with low incoherent thermal amplitude

Excitation sweeps resonant ions into a large coherent cyclotron orbit

Preamplifier and digitizer pick up the induced potentials on the cell


The frequency of the cyclotron gyration of an ion is inversely proportional to its mass-to-charge ratio (mq) and directly proportional to the strength of the applied magnetic field B



In the presence of a magnetic field sample ions orbit according to cyclotron frequency fcbull Cyclotron frequency related to charge of ion (z) magnetic field strength (B) and mass of ion (m)

All ions of same mz will have same cyclotron frequency at a fixed B and will move in a coherent ion packet


Ion packets produce a detectable image current on the detector cell plates

As the ion(s) in a circular orbit approach the top plate electrons are attracted to this plate from ground Then as the ion(s) circulate towards the bottom plate the electrons travel back down to the bottom plate This motion of electrons moving back and forth between the two plates produces a detectable current


Image is Fourier transformed to obtain the component frequencies and amplitudes (intensity) of the various ionsCyclotron frequency value is converted into a mz value to produce mass spectrum with the appropriate intensities


The End

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Folie 60

Folie 61

Overview

Mass Spectrometry in a Nutshell - Facts and Basics

Mass Resolution and Mass Accuracy



FTICR-MS The bdquoFerrari Ageldquo Of MS

Mass Spectrometry



Facts and Basics





Facts and Basics













Quadrupole




Ion Trap

Electron Multiplier

Multichannel plate

Faraday Cup










FTP-Server




MS Software










calibration)




Ionization Methods









Matrices

Matrix





peptides (polymers)



polymers

OH OH OH

OH

OH

COOH

C CH

OH

CN COOH

N

OH

COOH

NH

COOH



Mixing and Drying


solved Matrix

solved sample

fastdrying


Drying


Reflector







sample target

1 2 1 22

1

1 21

2

reflector

m = mE lt E

12

12

mz

detector

Electrospray (ESI)





Resolution







Resolution



Cyclo[12]thiophen

S

S

SS

S

S

S

SS

SS

S

1654 1656 1658 1660 1662 1664

16616

16606

16596

16586

16566

16576

1300 1400 1500 1600 1700 1800 1900 20000

500

1000

1500

2000

2500

3000

16576

Inte

nsity

mz



1040 1045 1050 1055


104756 (average)

Reflektor

DE

linear

mz

bdquoMassesldquo




130413021300129812961294

100

90

80

70

60

50

40

30

20

10

Mass (mz)


I

130413021300129812961294

100

90

80

70

60

50

40

30

20

10

0

Mass (mz)


12C62H90N17O14

12C6113C1H90N17O14

12C6013C2 H90N17O14

12C5913C3H90N17 O14

I

R = 1000 R = 5000


resolution 4000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 30000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 12000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 5000000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0




mz



GCMS (Quadrupole)


Sector To 4000 50000-100000 00005 (5 ppm)




FTICR To 4000 To 3000000 00001 (1 ppm)

Calibration




Calibration





EI CI ESI MALDI FAB



H Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)



Loss of H(-1)



1-2 1-2








640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

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Folie 4

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Folie 48

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Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61

Mass Spectrometry



Facts and Basics





Facts and Basics













Quadrupole




Ion Trap

Electron Multiplier

Multichannel plate

Faraday Cup










FTP-Server




MS Software










calibration)




Ionization Methods









Matrices

Matrix





peptides (polymers)



polymers

OH OH OH

OH

OH

COOH

C CH

OH

CN COOH

N

OH

COOH

NH

COOH



Mixing and Drying


solved Matrix

solved sample

fastdrying


Drying


Reflector







sample target

1 2 1 22

1

1 21

2

reflector

m = mE lt E

12

12

mz

detector

Electrospray (ESI)





Resolution







Resolution



Cyclo[12]thiophen

S

S

SS

S

S

S

SS

SS

S

1654 1656 1658 1660 1662 1664

16616

16606

16596

16586

16566

16576

1300 1400 1500 1600 1700 1800 1900 20000

500

1000

1500

2000

2500

3000

16576

Inte

nsity

mz



1040 1045 1050 1055


104756 (average)

Reflektor

DE

linear

mz

bdquoMassesldquo




130413021300129812961294

100

90

80

70

60

50

40

30

20

10

Mass (mz)


I

130413021300129812961294

100

90

80

70

60

50

40

30

20

10

0

Mass (mz)


12C62H90N17O14

12C6113C1H90N17O14

12C6013C2 H90N17O14

12C5913C3H90N17 O14

I

R = 1000 R = 5000


resolution 4000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 30000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 12000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 5000000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0




mz



GCMS (Quadrupole)


Sector To 4000 50000-100000 00005 (5 ppm)




FTICR To 4000 To 3000000 00001 (1 ppm)

Calibration




Calibration





EI CI ESI MALDI FAB



H Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)



Loss of H(-1)



1-2 1-2








640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61





Facts and Basics













Quadrupole




Ion Trap

Electron Multiplier

Multichannel plate

Faraday Cup










FTP-Server




MS Software










calibration)




Ionization Methods









Matrices

Matrix





peptides (polymers)



polymers

OH OH OH

OH

OH

COOH

C CH

OH

CN COOH

N

OH

COOH

NH

COOH



Mixing and Drying


solved Matrix

solved sample

fastdrying


Drying


Reflector







sample target

1 2 1 22

1

1 21

2

reflector

m = mE lt E

12

12

mz

detector

Electrospray (ESI)





Resolution







Resolution



Cyclo[12]thiophen

S

S

SS

S

S

S

SS

SS

S

1654 1656 1658 1660 1662 1664

16616

16606

16596

16586

16566

16576

1300 1400 1500 1600 1700 1800 1900 20000

500

1000

1500

2000

2500

3000

16576

Inte

nsity

mz



1040 1045 1050 1055


104756 (average)

Reflektor

DE

linear

mz

bdquoMassesldquo




130413021300129812961294

100

90

80

70

60

50

40

30

20

10

Mass (mz)


I

130413021300129812961294

100

90

80

70

60

50

40

30

20

10

0

Mass (mz)


12C62H90N17O14

12C6113C1H90N17O14

12C6013C2 H90N17O14

12C5913C3H90N17 O14

I

R = 1000 R = 5000


resolution 4000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 30000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 12000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 5000000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0




mz



GCMS (Quadrupole)


Sector To 4000 50000-100000 00005 (5 ppm)




FTICR To 4000 To 3000000 00001 (1 ppm)

Calibration




Calibration





EI CI ESI MALDI FAB



H Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)



Loss of H(-1)



1-2 1-2








640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61













Quadrupole




Ion Trap

Electron Multiplier

Multichannel plate

Faraday Cup










FTP-Server




MS Software










calibration)




Ionization Methods









Matrices

Matrix





peptides (polymers)



polymers

OH OH OH

OH

OH

COOH

C CH

OH

CN COOH

N

OH

COOH

NH

COOH



Mixing and Drying


solved Matrix

solved sample

fastdrying


Drying


Reflector







sample target

1 2 1 22

1

1 21

2

reflector

m = mE lt E

12

12

mz

detector

Electrospray (ESI)





Resolution







Resolution



Cyclo[12]thiophen

S

S

SS

S

S

S

SS

SS

S

1654 1656 1658 1660 1662 1664

16616

16606

16596

16586

16566

16576

1300 1400 1500 1600 1700 1800 1900 20000

500

1000

1500

2000

2500

3000

16576

Inte

nsity

mz



1040 1045 1050 1055


104756 (average)

Reflektor

DE

linear

mz

bdquoMassesldquo




130413021300129812961294

100

90

80

70

60

50

40

30

20

10

Mass (mz)


I

130413021300129812961294

100

90

80

70

60

50

40

30

20

10

0

Mass (mz)


12C62H90N17O14

12C6113C1H90N17O14

12C6013C2 H90N17O14

12C5913C3H90N17 O14

I

R = 1000 R = 5000


resolution 4000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 30000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 12000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 5000000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0




mz



GCMS (Quadrupole)


Sector To 4000 50000-100000 00005 (5 ppm)




FTICR To 4000 To 3000000 00001 (1 ppm)

Calibration




Calibration





EI CI ESI MALDI FAB



H Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)



Loss of H(-1)



1-2 1-2








640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61










FTP-Server




MS Software










calibration)




Ionization Methods









Matrices

Matrix





peptides (polymers)



polymers

OH OH OH

OH

OH

COOH

C CH

OH

CN COOH

N

OH

COOH

NH

COOH



Mixing and Drying


solved Matrix

solved sample

fastdrying


Drying


Reflector







sample target

1 2 1 22

1

1 21

2

reflector

m = mE lt E

12

12

mz

detector

Electrospray (ESI)





Resolution







Resolution



Cyclo[12]thiophen

S

S

SS

S

S

S

SS

SS

S

1654 1656 1658 1660 1662 1664

16616

16606

16596

16586

16566

16576

1300 1400 1500 1600 1700 1800 1900 20000

500

1000

1500

2000

2500

3000

16576

Inte

nsity

mz



1040 1045 1050 1055


104756 (average)

Reflektor

DE

linear

mz

bdquoMassesldquo




130413021300129812961294

100

90

80

70

60

50

40

30

20

10

Mass (mz)


I

130413021300129812961294

100

90

80

70

60

50

40

30

20

10

0

Mass (mz)


12C62H90N17O14

12C6113C1H90N17O14

12C6013C2 H90N17O14

12C5913C3H90N17 O14

I

R = 1000 R = 5000


resolution 4000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 30000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 12000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 5000000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0




mz



GCMS (Quadrupole)


Sector To 4000 50000-100000 00005 (5 ppm)




FTICR To 4000 To 3000000 00001 (1 ppm)

Calibration




Calibration





EI CI ESI MALDI FAB



H Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)



Loss of H(-1)



1-2 1-2








640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61

MS Software










calibration)




Ionization Methods









Matrices

Matrix





peptides (polymers)



polymers

OH OH OH

OH

OH

COOH

C CH

OH

CN COOH

N

OH

COOH

NH

COOH



Mixing and Drying


solved Matrix

solved sample

fastdrying


Drying


Reflector







sample target

1 2 1 22

1

1 21

2

reflector

m = mE lt E

12

12

mz

detector

Electrospray (ESI)





Resolution







Resolution



Cyclo[12]thiophen

S

S

SS

S

S

S

SS

SS

S

1654 1656 1658 1660 1662 1664

16616

16606

16596

16586

16566

16576

1300 1400 1500 1600 1700 1800 1900 20000

500

1000

1500

2000

2500

3000

16576

Inte

nsity

mz



1040 1045 1050 1055


104756 (average)

Reflektor

DE

linear

mz

bdquoMassesldquo




130413021300129812961294

100

90

80

70

60

50

40

30

20

10

Mass (mz)


I

130413021300129812961294

100

90

80

70

60

50

40

30

20

10

0

Mass (mz)


12C62H90N17O14

12C6113C1H90N17O14

12C6013C2 H90N17O14

12C5913C3H90N17 O14

I

R = 1000 R = 5000


resolution 4000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 30000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 12000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 5000000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0




mz



GCMS (Quadrupole)


Sector To 4000 50000-100000 00005 (5 ppm)




FTICR To 4000 To 3000000 00001 (1 ppm)

Calibration




Calibration





EI CI ESI MALDI FAB



H Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)



Loss of H(-1)



1-2 1-2








640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61






calibration)




Ionization Methods









Matrices

Matrix





peptides (polymers)



polymers

OH OH OH

OH

OH

COOH

C CH

OH

CN COOH

N

OH

COOH

NH

COOH



Mixing and Drying


solved Matrix

solved sample

fastdrying


Drying


Reflector







sample target

1 2 1 22

1

1 21

2

reflector

m = mE lt E

12

12

mz

detector

Electrospray (ESI)





Resolution







Resolution



Cyclo[12]thiophen

S

S

SS

S

S

S

SS

SS

S

1654 1656 1658 1660 1662 1664

16616

16606

16596

16586

16566

16576

1300 1400 1500 1600 1700 1800 1900 20000

500

1000

1500

2000

2500

3000

16576

Inte

nsity

mz



1040 1045 1050 1055


104756 (average)

Reflektor

DE

linear

mz

bdquoMassesldquo




130413021300129812961294

100

90

80

70

60

50

40

30

20

10

Mass (mz)


I

130413021300129812961294

100

90

80

70

60

50

40

30

20

10

0

Mass (mz)


12C62H90N17O14

12C6113C1H90N17O14

12C6013C2 H90N17O14

12C5913C3H90N17 O14

I

R = 1000 R = 5000


resolution 4000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 30000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 12000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 5000000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0




mz



GCMS (Quadrupole)


Sector To 4000 50000-100000 00005 (5 ppm)




FTICR To 4000 To 3000000 00001 (1 ppm)

Calibration




Calibration





EI CI ESI MALDI FAB



H Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)



Loss of H(-1)



1-2 1-2








640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61




Ionization Methods









Matrices

Matrix





peptides (polymers)



polymers

OH OH OH

OH

OH

COOH

C CH

OH

CN COOH

N

OH

COOH

NH

COOH



Mixing and Drying


solved Matrix

solved sample

fastdrying


Drying


Reflector







sample target

1 2 1 22

1

1 21

2

reflector

m = mE lt E

12

12

mz

detector

Electrospray (ESI)





Resolution







Resolution



Cyclo[12]thiophen

S

S

SS

S

S

S

SS

SS

S

1654 1656 1658 1660 1662 1664

16616

16606

16596

16586

16566

16576

1300 1400 1500 1600 1700 1800 1900 20000

500

1000

1500

2000

2500

3000

16576

Inte

nsity

mz



1040 1045 1050 1055


104756 (average)

Reflektor

DE

linear

mz

bdquoMassesldquo




130413021300129812961294

100

90

80

70

60

50

40

30

20

10

Mass (mz)


I

130413021300129812961294

100

90

80

70

60

50

40

30

20

10

0

Mass (mz)


12C62H90N17O14

12C6113C1H90N17O14

12C6013C2 H90N17O14

12C5913C3H90N17 O14

I

R = 1000 R = 5000


resolution 4000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 30000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 12000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 5000000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0




mz



GCMS (Quadrupole)


Sector To 4000 50000-100000 00005 (5 ppm)




FTICR To 4000 To 3000000 00001 (1 ppm)

Calibration




Calibration





EI CI ESI MALDI FAB



H Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)



Loss of H(-1)



1-2 1-2








640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61




Matrices

Matrix





peptides (polymers)



polymers

OH OH OH

OH

OH

COOH

C CH

OH

CN COOH

N

OH

COOH

NH

COOH



Mixing and Drying


solved Matrix

solved sample

fastdrying


Drying


Reflector







sample target

1 2 1 22

1

1 21

2

reflector

m = mE lt E

12

12

mz

detector

Electrospray (ESI)





Resolution







Resolution



Cyclo[12]thiophen

S

S

SS

S

S

S

SS

SS

S

1654 1656 1658 1660 1662 1664

16616

16606

16596

16586

16566

16576

1300 1400 1500 1600 1700 1800 1900 20000

500

1000

1500

2000

2500

3000

16576

Inte

nsity

mz



1040 1045 1050 1055


104756 (average)

Reflektor

DE

linear

mz

bdquoMassesldquo




130413021300129812961294

100

90

80

70

60

50

40

30

20

10

Mass (mz)


I

130413021300129812961294

100

90

80

70

60

50

40

30

20

10

0

Mass (mz)


12C62H90N17O14

12C6113C1H90N17O14

12C6013C2 H90N17O14

12C5913C3H90N17 O14

I

R = 1000 R = 5000


resolution 4000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 30000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 12000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 5000000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0




mz



GCMS (Quadrupole)


Sector To 4000 50000-100000 00005 (5 ppm)




FTICR To 4000 To 3000000 00001 (1 ppm)

Calibration




Calibration





EI CI ESI MALDI FAB



H Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)



Loss of H(-1)



1-2 1-2








640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61



Mixing and Drying


solved Matrix

solved sample

fastdrying


Drying


Reflector







sample target

1 2 1 22

1

1 21

2

reflector

m = mE lt E

12

12

mz

detector

Electrospray (ESI)





Resolution







Resolution



Cyclo[12]thiophen

S

S

SS

S

S

S

SS

SS

S

1654 1656 1658 1660 1662 1664

16616

16606

16596

16586

16566

16576

1300 1400 1500 1600 1700 1800 1900 20000

500

1000

1500

2000

2500

3000

16576

Inte

nsity

mz



1040 1045 1050 1055


104756 (average)

Reflektor

DE

linear

mz

bdquoMassesldquo




130413021300129812961294

100

90

80

70

60

50

40

30

20

10

Mass (mz)


I

130413021300129812961294

100

90

80

70

60

50

40

30

20

10

0

Mass (mz)


12C62H90N17O14

12C6113C1H90N17O14

12C6013C2 H90N17O14

12C5913C3H90N17 O14

I

R = 1000 R = 5000


resolution 4000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 30000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 12000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 5000000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0




mz



GCMS (Quadrupole)


Sector To 4000 50000-100000 00005 (5 ppm)




FTICR To 4000 To 3000000 00001 (1 ppm)

Calibration




Calibration





EI CI ESI MALDI FAB



H Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)



Loss of H(-1)



1-2 1-2








640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61


solved Matrix

solved sample

fastdrying


Drying


Reflector







sample target

1 2 1 22

1

1 21

2

reflector

m = mE lt E

12

12

mz

detector

Electrospray (ESI)





Resolution







Resolution



Cyclo[12]thiophen

S

S

SS

S

S

S

SS

SS

S

1654 1656 1658 1660 1662 1664

16616

16606

16596

16586

16566

16576

1300 1400 1500 1600 1700 1800 1900 20000

500

1000

1500

2000

2500

3000

16576

Inte

nsity

mz



1040 1045 1050 1055


104756 (average)

Reflektor

DE

linear

mz

bdquoMassesldquo




130413021300129812961294

100

90

80

70

60

50

40

30

20

10

Mass (mz)


I

130413021300129812961294

100

90

80

70

60

50

40

30

20

10

0

Mass (mz)


12C62H90N17O14

12C6113C1H90N17O14

12C6013C2 H90N17O14

12C5913C3H90N17 O14

I

R = 1000 R = 5000


resolution 4000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 30000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 12000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 5000000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0




mz



GCMS (Quadrupole)


Sector To 4000 50000-100000 00005 (5 ppm)




FTICR To 4000 To 3000000 00001 (1 ppm)

Calibration




Calibration





EI CI ESI MALDI FAB



H Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)



Loss of H(-1)



1-2 1-2








640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61


Reflector







sample target

1 2 1 22

1

1 21

2

reflector

m = mE lt E

12

12

mz

detector

Electrospray (ESI)





Resolution







Resolution



Cyclo[12]thiophen

S

S

SS

S

S

S

SS

SS

S

1654 1656 1658 1660 1662 1664

16616

16606

16596

16586

16566

16576

1300 1400 1500 1600 1700 1800 1900 20000

500

1000

1500

2000

2500

3000

16576

Inte

nsity

mz



1040 1045 1050 1055


104756 (average)

Reflektor

DE

linear

mz

bdquoMassesldquo




130413021300129812961294

100

90

80

70

60

50

40

30

20

10

Mass (mz)


I

130413021300129812961294

100

90

80

70

60

50

40

30

20

10

0

Mass (mz)


12C62H90N17O14

12C6113C1H90N17O14

12C6013C2 H90N17O14

12C5913C3H90N17 O14

I

R = 1000 R = 5000


resolution 4000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 30000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 12000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 5000000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0




mz



GCMS (Quadrupole)


Sector To 4000 50000-100000 00005 (5 ppm)




FTICR To 4000 To 3000000 00001 (1 ppm)

Calibration




Calibration





EI CI ESI MALDI FAB



H Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)



Loss of H(-1)



1-2 1-2








640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61



sample target

1 2 1 22

1

1 21

2

reflector

m = mE lt E

12

12

mz

detector

Electrospray (ESI)





Resolution







Resolution



Cyclo[12]thiophen

S

S

SS

S

S

S

SS

SS

S

1654 1656 1658 1660 1662 1664

16616

16606

16596

16586

16566

16576

1300 1400 1500 1600 1700 1800 1900 20000

500

1000

1500

2000

2500

3000

16576

Inte

nsity

mz



1040 1045 1050 1055


104756 (average)

Reflektor

DE

linear

mz

bdquoMassesldquo




130413021300129812961294

100

90

80

70

60

50

40

30

20

10

Mass (mz)


I

130413021300129812961294

100

90

80

70

60

50

40

30

20

10

0

Mass (mz)


12C62H90N17O14

12C6113C1H90N17O14

12C6013C2 H90N17O14

12C5913C3H90N17 O14

I

R = 1000 R = 5000


resolution 4000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 30000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 12000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 5000000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0




mz



GCMS (Quadrupole)


Sector To 4000 50000-100000 00005 (5 ppm)




FTICR To 4000 To 3000000 00001 (1 ppm)

Calibration




Calibration





EI CI ESI MALDI FAB



H Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)



Loss of H(-1)



1-2 1-2








640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61

Electrospray (ESI)





Resolution







Resolution



Cyclo[12]thiophen

S

S

SS

S

S

S

SS

SS

S

1654 1656 1658 1660 1662 1664

16616

16606

16596

16586

16566

16576

1300 1400 1500 1600 1700 1800 1900 20000

500

1000

1500

2000

2500

3000

16576

Inte

nsity

mz



1040 1045 1050 1055


104756 (average)

Reflektor

DE

linear

mz

bdquoMassesldquo




130413021300129812961294

100

90

80

70

60

50

40

30

20

10

Mass (mz)


I

130413021300129812961294

100

90

80

70

60

50

40

30

20

10

0

Mass (mz)


12C62H90N17O14

12C6113C1H90N17O14

12C6013C2 H90N17O14

12C5913C3H90N17 O14

I

R = 1000 R = 5000


resolution 4000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 30000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 12000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 5000000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0




mz



GCMS (Quadrupole)


Sector To 4000 50000-100000 00005 (5 ppm)




FTICR To 4000 To 3000000 00001 (1 ppm)

Calibration




Calibration





EI CI ESI MALDI FAB



H Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)



Loss of H(-1)



1-2 1-2








640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61





Resolution







Resolution



Cyclo[12]thiophen

S

S

SS

S

S

S

SS

SS

S

1654 1656 1658 1660 1662 1664

16616

16606

16596

16586

16566

16576

1300 1400 1500 1600 1700 1800 1900 20000

500

1000

1500

2000

2500

3000

16576

Inte

nsity

mz



1040 1045 1050 1055


104756 (average)

Reflektor

DE

linear

mz

bdquoMassesldquo




130413021300129812961294

100

90

80

70

60

50

40

30

20

10

Mass (mz)


I

130413021300129812961294

100

90

80

70

60

50

40

30

20

10

0

Mass (mz)


12C62H90N17O14

12C6113C1H90N17O14

12C6013C2 H90N17O14

12C5913C3H90N17 O14

I

R = 1000 R = 5000


resolution 4000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 30000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 12000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 5000000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0




mz



GCMS (Quadrupole)


Sector To 4000 50000-100000 00005 (5 ppm)




FTICR To 4000 To 3000000 00001 (1 ppm)

Calibration




Calibration





EI CI ESI MALDI FAB



H Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)



Loss of H(-1)



1-2 1-2








640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61

Resolution



Cyclo[12]thiophen

S

S

SS

S

S

S

SS

SS

S

1654 1656 1658 1660 1662 1664

16616

16606

16596

16586

16566

16576

1300 1400 1500 1600 1700 1800 1900 20000

500

1000

1500

2000

2500

3000

16576

Inte

nsity

mz



1040 1045 1050 1055


104756 (average)

Reflektor

DE

linear

mz

bdquoMassesldquo




130413021300129812961294

100

90

80

70

60

50

40

30

20

10

Mass (mz)


I

130413021300129812961294

100

90

80

70

60

50

40

30

20

10

0

Mass (mz)


12C62H90N17O14

12C6113C1H90N17O14

12C6013C2 H90N17O14

12C5913C3H90N17 O14

I

R = 1000 R = 5000


resolution 4000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 30000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 12000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 5000000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0




mz



GCMS (Quadrupole)


Sector To 4000 50000-100000 00005 (5 ppm)




FTICR To 4000 To 3000000 00001 (1 ppm)

Calibration




Calibration





EI CI ESI MALDI FAB



H Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)



Loss of H(-1)



1-2 1-2








640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61

Cyclo[12]thiophen

S

S

SS

S

S

S

SS

SS

S

1654 1656 1658 1660 1662 1664

16616

16606

16596

16586

16566

16576

1300 1400 1500 1600 1700 1800 1900 20000

500

1000

1500

2000

2500

3000

16576

Inte

nsity

mz



1040 1045 1050 1055


104756 (average)

Reflektor

DE

linear

mz

bdquoMassesldquo




130413021300129812961294

100

90

80

70

60

50

40

30

20

10

Mass (mz)


I

130413021300129812961294

100

90

80

70

60

50

40

30

20

10

0

Mass (mz)


12C62H90N17O14

12C6113C1H90N17O14

12C6013C2 H90N17O14

12C5913C3H90N17 O14

I

R = 1000 R = 5000


resolution 4000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 30000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 12000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 5000000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0




mz



GCMS (Quadrupole)


Sector To 4000 50000-100000 00005 (5 ppm)




FTICR To 4000 To 3000000 00001 (1 ppm)

Calibration




Calibration





EI CI ESI MALDI FAB



H Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)



Loss of H(-1)



1-2 1-2








640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61


1040 1045 1050 1055


104756 (average)

Reflektor

DE

linear

mz

bdquoMassesldquo




130413021300129812961294

100

90

80

70

60

50

40

30

20

10

Mass (mz)


I

130413021300129812961294

100

90

80

70

60

50

40

30

20

10

0

Mass (mz)


12C62H90N17O14

12C6113C1H90N17O14

12C6013C2 H90N17O14

12C5913C3H90N17 O14

I

R = 1000 R = 5000


resolution 4000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 30000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 12000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 5000000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0




mz



GCMS (Quadrupole)


Sector To 4000 50000-100000 00005 (5 ppm)




FTICR To 4000 To 3000000 00001 (1 ppm)

Calibration




Calibration





EI CI ESI MALDI FAB



H Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)



Loss of H(-1)



1-2 1-2








640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61

bdquoMassesldquo




130413021300129812961294

100

90

80

70

60

50

40

30

20

10

Mass (mz)


I

130413021300129812961294

100

90

80

70

60

50

40

30

20

10

0

Mass (mz)


12C62H90N17O14

12C6113C1H90N17O14

12C6013C2 H90N17O14

12C5913C3H90N17 O14

I

R = 1000 R = 5000


resolution 4000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 30000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 12000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 5000000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0




mz



GCMS (Quadrupole)


Sector To 4000 50000-100000 00005 (5 ppm)




FTICR To 4000 To 3000000 00001 (1 ppm)

Calibration




Calibration





EI CI ESI MALDI FAB



H Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)



Loss of H(-1)



1-2 1-2








640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61


130413021300129812961294

100

90

80

70

60

50

40

30

20

10

Mass (mz)


I

130413021300129812961294

100

90

80

70

60

50

40

30

20

10

0

Mass (mz)


12C62H90N17O14

12C6113C1H90N17O14

12C6013C2 H90N17O14

12C5913C3H90N17 O14

I

R = 1000 R = 5000


resolution 4000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 30000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 12000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 5000000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0




mz



GCMS (Quadrupole)


Sector To 4000 50000-100000 00005 (5 ppm)




FTICR To 4000 To 3000000 00001 (1 ppm)

Calibration




Calibration





EI CI ESI MALDI FAB



H Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)



Loss of H(-1)



1-2 1-2








640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61


resolution 4000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 30000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 12000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0

resolution 5000000

574557405735573057255720

100

90

80

70

60

50

40

30

20

10

0




mz



GCMS (Quadrupole)


Sector To 4000 50000-100000 00005 (5 ppm)




FTICR To 4000 To 3000000 00001 (1 ppm)

Calibration




Calibration





EI CI ESI MALDI FAB



H Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)



Loss of H(-1)



1-2 1-2








640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61




mz



GCMS (Quadrupole)


Sector To 4000 50000-100000 00005 (5 ppm)




FTICR To 4000 To 3000000 00001 (1 ppm)

Calibration




Calibration





EI CI ESI MALDI FAB



H Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)



Loss of H(-1)



1-2 1-2








640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61

Calibration




Calibration





EI CI ESI MALDI FAB



H Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)



Loss of H(-1)



1-2 1-2








640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61

Calibration





EI CI ESI MALDI FAB



H Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)



Loss of H(-1)



1-2 1-2








640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61



EI CI ESI MALDI FAB



H Na K etc(+1 +23 +39 etc)

H Na K etc(+1 +23 +39 etc)



Loss of H(-1)



1-2 1-2








640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61







640 660 680 700 mz

500

1000

1500

2000

2500

3000

3500

4000

ai

652

674

690

[M+Na]+

[M+H]+

[M+K]+

OH O

N

O

2

C40H46N2O6



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61



1831

2752

3672

4592

X 10

5513

6433

82749194

[2M- H]-

[3M- H]-

[7M- H]-







EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61






EI CI MALDIFAB ESI






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61






EI CI MALDIFAB ESI







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61







1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100

CuL+

(Ac3T)2phen

sig

na

l in

ten

sity

mz

CuL2

+

1000 1250 1500 1750 2000 2250 2500 2750 30000

20

40

60

80

100CuL

2

+

CuL+

Sig

na

l In

ten

sity

mz


N

SSS

BuBuBu

Bu

N

RN

NS S S

Bu Bu Bu Bu

R

S S S

Bu Bu BuBu

R

SSS

BuBuBu

Bu

R

Cu+

BF4-

R = TMS H


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61


600 700 800 mz

1000

2000

3000

4000

5000

6000

7000

8000

9000

10000

11000

ai

6546

8109

OO

N NNi

N N






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61






+bull CH3+ + Hbull

CH3+ + CH4 C2H5



Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61


Contamination

SourceDetection

EI CI FAB MALDI ESI


Heavy metal salts


- ++ ++



- ++ -+



- ++ ++++

HC Grease + + ++

Polyphenylether




++ + (+)(+)


++ + -(+)






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61






exchange






exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61




exchange









2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61







2 0 0 0 3 0 0 0 4 0 0 0 5 0 0 0 6 0 0 0 7 0 0 0 8 0 0 0 9 0 0 0 1 0 0 0 0 m z0

2 0 0 0

4 0 0 0

6 0 0 0

I n t e n s


O OCH3 CH3O[ [n

Linear Mode

Reflektor Mode


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61


11111155

1199

1023

979

935 1243

15 + 44x+17 +23






FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61





FT-ICR-MS



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61



























The End

Folie 1

Folie 2

Folie 3

Folie 4

Folie 5

Folie 6

Folie 7

Folie 8

Folie 9

Folie 10

Folie 11

Folie 12

Folie 13

Folie 14

Folie 15

Folie 16

Folie 17

Folie 18

Folie 19

Folie 20

Folie 21

Folie 22

Folie 23

Folie 24

Folie 25

Folie 26

Folie 27

Folie 28

Folie 29

Folie 30

Folie 31

Folie 32

Folie 33

Folie 34

Folie 35

Folie 36

Folie 37

Folie 38

Folie 39

Folie 40

Folie 41

Folie 42

Folie 43

Folie 44

Folie 45

Folie 46

Folie 47

Folie 48

Folie 49

Folie 50

Folie 51

Folie 52

Folie 53

Folie 54

Folie 55

Folie 56

Folie 57

Folie 58

Folie 59

Folie 60

Folie 61

Mass Spectrometry Frequently Asked Questions Dr. Markus Wunderlin, Seminar 07.07.2004.

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Transcript of Mass Spectrometry Frequently Asked Questions Dr. Markus Wunderlin, Seminar 07.07.2004.