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-


- ()

FT ICR, FTMS, ICR MS





(From Alan Marshall NHMFL)




I

B





.

F = q(E + v x B)
v v

B
F

F

= qB/m

­


( ).


.


Processing I nformation in FTMS
Fou rier Transform Transient (time domain) Frequenc y spectrum (f requency domain) Mass scale cal ibrati on Mass spec trum

(Pad e Tr ansform, line ar r eg re ssio n.. .)

m/z = q B/(2 f ) + ...
c

Time
1. 26 1 0

5

1. 26 1 0

5

Frequency, Hz

1. 26 1 0

5

1. 26 1 0

5

1. 27 1 0

5

568

569

570

m/z

571

572

573

from Roman Zubarev


.







J Am Soc Mass Spectrom. Author manuscript; available in PMC 2009 April 1.


J Am Soc Mass Spectrom. Author manuscript; available in PMC 2009 April 1.




FTICR cell with dynamic harmonization of the electric field in the whole volume by shaping of excitation and detection electrode assembly. Ivan A. Boldin and Eugene N. Nikolaev





- LTQ FT (Thermo)
(ESI)

7



500 000 m/z 400 2ppm





-
FA_1-1_neg_FT #1 RT: 107.73 AV: 1 NL: 8.55E3 T: FTMS - p ESI Full m s [ 200.00-1000.00] 100 95 90 85 80 75 70 65 409.11 60 Relati ve Abundance 397.11 55 381.12 50 367.10 45 40 35 30 25 341.09 20 15 325.09 10 5 239.56 0 250 300 350 400 450 m/z 500 550 600 650 700 283.08 311.11 619.05 631.05 637.06 666.05 607.06 601.04 355.10 351.11 589.04 573.05 577.05 491.06 505.06 519.06

3000-5000
479.06 465.14

533.06

547.06 421.23 451.13 561.06 439.13

269.10


: 12.0000 n(C) + 1.0078 n(H) + 15.9950 n(O)+ 14.0030 n(N) = M
SRDO M -ACN-12 0p pm -3 20 0V-a v2 00 _FT _ 400 k_ . . . 25 . 0 7. 20 08 2 : 05 : 3 8 F i l e re ca lib ra t e d b y Re c a lO f f lin e

S RDO M -A CN-120ppm -3200V -av200_F T_400k _Rec al #1 RT: 71. 98 AV: 1 NL: 8. 13E 3 T: F TM S - p E S I F ull m s [ 300. 00-900. 00] 427. 05182 R= 374558 C 17 H 15 O 13 0. 01071 ppm 8000 427. 08820 R= 366955 7000 C 18 H 19 O 12 427. 12460 6000 -0. 00932 ppm R= 372875 C 19 H 23 O 11 5000 0. 04210 ppm 427. 16098 4000 427. 11679 R= 373741 427. 03067 R= 212732 427. 06711 C 20 H 27 O 10 3000 R= 349985 R= 332767 427. 10342 0. 02207 ppm 427. 13980 C 20 H 11 O 11 C 21 H 15 O 10 R= 336435 R= 398822 2000 -0. 03438 ppm C 22 H 19 O 9 0. 08851 ppm C 23 H 23 O 8 427. 04141 427. 08047 -0. 07443 ppm -0. 09446 ppm 1000 R= 287765 R= 371848 Intens it y 0 427. 02 427. 04 427. 06 427. 08 427. 10 m/ z 427. 12 427. 14 427. 16


, .


, CH2-


-- c
-

CH4 = CH2 + H2, C2H4 = CH2 + CH2, ...
H2 CH2 14.0 C 12

O 15.99

CO 27.99

CH2O 30.01

C2H2O 42.011

C2H4O 44.02

13C12

C-1

-


: ,


(From Alan Marshall NHMFL)


(2) = 14.01565 - 14 = 0.01565
= -

(From Alan Marshall NHMFL)


( 2 =14)
(2) = 14. - 14 = 0.




(From Alan Marshall NHMFL)




= M, (2) = 14, M(O) = *14/14.0155 = 15.977, = M - M, (O) = 16 - 15.977 = 0.023.




(A) methylation, demethylation, or alkyl chain elongation; (B) hydrogenation or dehydrogenation; (C) hydration or condensation; and (D) oxidation or reduction.
Analytical Chemistry, Vol. 75, No. 20, October 15, 2003


Regional plots of elemental compositions from some major biomolecular components on the van Krevelen diagram.

Analytical Chemistry, Vol. 75, No. 20, October 15, 2003


3-D van Krevelen

Kim S, Kaplan LA, Benner R, Hatcher PG (2004) Mar Chem 92:225


-


3D Graph
Connectivy pattern for three major building blocks of NOM: H2, CH2, C2H2O

SRDOM

Anton Grigoryev


Linear Ion Trap ­ Orbitrap Hybrid MS
API Ion source Linear Ion Trap C-Trap

differential pumping

Orbitrap

differential pumping


Kingdom trap


!