New strategies for resolving oligosaccharide isomers by exploiting mechanistic and thermochemical aspects of fragment ion formation

Andres Guerrero, Carlito B Lebrilla

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

Three complementary experimental approaches for elucidating human milk oligosaccharide (HMOs) isomers by Fourier Transform Ion Cyclotron Resonance mass spectrometry (FT-ICR) are described: tandem-MS disruption by double resonance to distinguish different fragmentation pathways, examination of fragment intensity ratios arising from differential alkali metal ion affinities and monitoring competitive fragmentation rates. The interpretation of the fragmentation pattern from a mechanistic and thermochemical point of view permits the assignment of not only pure isomers but, in some cases, mixtures of them. Methodologically the procedures are simple, reliable and rapid making unnecessary both the use of previous separation techniques and tedious chemical modifications of the HMOs. In principle, the rationale can be expanded to resolve other isomeric mixtures of biological nature.

Original languageEnglish (US)
Pages (from-to)19-25
Number of pages7
JournalInternational Journal of Mass Spectrometry
Volume354-355
DOIs
StatePublished - 2013

Fingerprint

Oligosaccharides
Isomers
fragmentation
milk
isomers
fragments
Ions
Alkali Metals
Cyclotron resonance
Chemical modification
Alkali metals
Mass spectrometry
Metal ions
Fourier transforms
ions
cyclotron resonance
alkali metals
affinity
Monitoring
metal ions

Keywords

  • Double resonance
  • Fragmentation pathway
  • FT-ICR
  • IRMPD
  • Oligosaccharides
  • Sodium affinity

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Condensed Matter Physics
  • Instrumentation

Cite this

New strategies for resolving oligosaccharide isomers by exploiting mechanistic and thermochemical aspects of fragment ion formation. / Guerrero, Andres; Lebrilla, Carlito B.

In: International Journal of Mass Spectrometry, Vol. 354-355, 2013, p. 19-25.

Research output: Contribution to journalArticle

@article{e209963e294146f5a1d79f1f09c65a58,
title = "New strategies for resolving oligosaccharide isomers by exploiting mechanistic and thermochemical aspects of fragment ion formation",
abstract = "Three complementary experimental approaches for elucidating human milk oligosaccharide (HMOs) isomers by Fourier Transform Ion Cyclotron Resonance mass spectrometry (FT-ICR) are described: tandem-MS disruption by double resonance to distinguish different fragmentation pathways, examination of fragment intensity ratios arising from differential alkali metal ion affinities and monitoring competitive fragmentation rates. The interpretation of the fragmentation pattern from a mechanistic and thermochemical point of view permits the assignment of not only pure isomers but, in some cases, mixtures of them. Methodologically the procedures are simple, reliable and rapid making unnecessary both the use of previous separation techniques and tedious chemical modifications of the HMOs. In principle, the rationale can be expanded to resolve other isomeric mixtures of biological nature.",
keywords = "Double resonance, Fragmentation pathway, FT-ICR, IRMPD, Oligosaccharides, Sodium affinity",
author = "Andres Guerrero and Lebrilla, {Carlito B}",
year = "2013",
doi = "10.1016/j.ijms.2013.05.002",
language = "English (US)",
volume = "354-355",
pages = "19--25",
journal = "International Journal of Mass Spectrometry",
issn = "1387-3806",
publisher = "Elsevier",

}

TY - JOUR

T1 - New strategies for resolving oligosaccharide isomers by exploiting mechanistic and thermochemical aspects of fragment ion formation

AU - Guerrero, Andres

AU - Lebrilla, Carlito B

PY - 2013

Y1 - 2013

N2 - Three complementary experimental approaches for elucidating human milk oligosaccharide (HMOs) isomers by Fourier Transform Ion Cyclotron Resonance mass spectrometry (FT-ICR) are described: tandem-MS disruption by double resonance to distinguish different fragmentation pathways, examination of fragment intensity ratios arising from differential alkali metal ion affinities and monitoring competitive fragmentation rates. The interpretation of the fragmentation pattern from a mechanistic and thermochemical point of view permits the assignment of not only pure isomers but, in some cases, mixtures of them. Methodologically the procedures are simple, reliable and rapid making unnecessary both the use of previous separation techniques and tedious chemical modifications of the HMOs. In principle, the rationale can be expanded to resolve other isomeric mixtures of biological nature.

AB - Three complementary experimental approaches for elucidating human milk oligosaccharide (HMOs) isomers by Fourier Transform Ion Cyclotron Resonance mass spectrometry (FT-ICR) are described: tandem-MS disruption by double resonance to distinguish different fragmentation pathways, examination of fragment intensity ratios arising from differential alkali metal ion affinities and monitoring competitive fragmentation rates. The interpretation of the fragmentation pattern from a mechanistic and thermochemical point of view permits the assignment of not only pure isomers but, in some cases, mixtures of them. Methodologically the procedures are simple, reliable and rapid making unnecessary both the use of previous separation techniques and tedious chemical modifications of the HMOs. In principle, the rationale can be expanded to resolve other isomeric mixtures of biological nature.

KW - Double resonance

KW - Fragmentation pathway

KW - FT-ICR

KW - IRMPD

KW - Oligosaccharides

KW - Sodium affinity

UR - http://www.scopus.com/inward/record.url?scp=84888321688&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84888321688&partnerID=8YFLogxK

U2 - 10.1016/j.ijms.2013.05.002

DO - 10.1016/j.ijms.2013.05.002

M3 - Article

AN - SCOPUS:84888321688

VL - 354-355

SP - 19

EP - 25

JO - International Journal of Mass Spectrometry

JF - International Journal of Mass Spectrometry

SN - 1387-3806

ER -