Tags

Type your tag names separated by a space and hit enter

Logical MS/MS scans: a new set of operations for tandem mass spectrometry.
Analyst. 2018 Nov 05; 143(22):5438-5452.A

Abstract

A new set of operations for tandem mass spectrometry in a linear ion trap is described. Logical MS/MS operations categorize compounds in mixtures based on characteristic structural features as revealed by MS/MS behavior recorded in multiple fragmentation pathways. This approach is a conceptual extension of tandem mass spectrometry in which interrogation of the full data domain is performed by simultaneous implementation of precursor and neutral loss scans. This process can be thought of as moving through the 2D MS/MS data domain along multiple scan lines simultaneously, which allows experiments that explore the 2D data domain of MS/MS to be couched in terms of logical operations, AND, NAND (not and), OR (inclusive or), XOR (exclusive or), NOT, etc. Examples of particular logical conditions include all precursor ions that fragment to both of two selected product ions (logical AND), or all precursor ions that do not produce a specified fragment ion (logical NOT). These and other operational modes (TRUE/FALSE, XOR, OR, etc.) complement and extend the existing set of conventional MS/MS scans, namely product scans, precursor scans, and neutral loss scans. We describe the implementation of logical MS/MS scans on a commercial linear ion trap mass spectrometer using simple mixtures of amphetamines and fentanyl analogues and argue their utility for complex mixture analysis.

Authors+Show Affiliations

Purdue University Department of Chemistry, West Lafayette, IN 47907, USA. cooks@purdue.edu.No affiliation info availableNo affiliation info availableNo affiliation info available

Pub Type(s)

Journal Article

Language

eng

PubMed ID

30311922

Citation

Snyder, Dalton T., et al. "Logical MS/MS Scans: a New Set of Operations for Tandem Mass Spectrometry." The Analyst, vol. 143, no. 22, 2018, pp. 5438-5452.
Snyder DT, Szalwinski LJ, Wells JM, et al. Logical MS/MS scans: a new set of operations for tandem mass spectrometry. Analyst. 2018;143(22):5438-5452.
Snyder, D. T., Szalwinski, L. J., Wells, J. M., & Cooks, R. G. (2018). Logical MS/MS scans: a new set of operations for tandem mass spectrometry. The Analyst, 143(22), 5438-5452. https://doi.org/10.1039/c8an01661e
Snyder DT, et al. Logical MS/MS Scans: a New Set of Operations for Tandem Mass Spectrometry. Analyst. 2018 Nov 5;143(22):5438-5452. PubMed PMID: 30311922.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Logical MS/MS scans: a new set of operations for tandem mass spectrometry. AU - Snyder,Dalton T, AU - Szalwinski,Lucas J, AU - Wells,J Mitchell, AU - Cooks,R Graham, PY - 2018/10/13/pubmed PY - 2018/10/13/medline PY - 2018/10/13/entrez SP - 5438 EP - 5452 JF - The Analyst JO - Analyst VL - 143 IS - 22 N2 - A new set of operations for tandem mass spectrometry in a linear ion trap is described. Logical MS/MS operations categorize compounds in mixtures based on characteristic structural features as revealed by MS/MS behavior recorded in multiple fragmentation pathways. This approach is a conceptual extension of tandem mass spectrometry in which interrogation of the full data domain is performed by simultaneous implementation of precursor and neutral loss scans. This process can be thought of as moving through the 2D MS/MS data domain along multiple scan lines simultaneously, which allows experiments that explore the 2D data domain of MS/MS to be couched in terms of logical operations, AND, NAND (not and), OR (inclusive or), XOR (exclusive or), NOT, etc. Examples of particular logical conditions include all precursor ions that fragment to both of two selected product ions (logical AND), or all precursor ions that do not produce a specified fragment ion (logical NOT). These and other operational modes (TRUE/FALSE, XOR, OR, etc.) complement and extend the existing set of conventional MS/MS scans, namely product scans, precursor scans, and neutral loss scans. We describe the implementation of logical MS/MS scans on a commercial linear ion trap mass spectrometer using simple mixtures of amphetamines and fentanyl analogues and argue their utility for complex mixture analysis. SN - 1364-5528 UR - https://www.unboundmedicine.com/medline/citation/30311922/Logical_MS/MS_scans:_a_new_set_of_operations_for_tandem_mass_spectrometry L2 - https://doi.org/10.1039/c8an01661e DB - PRIME DP - Unbound Medicine ER -
Try the Free App:
Prime PubMed app for iOS iPhone iPad
Prime PubMed app for Android
Prime PubMed is provided
free to individuals by:
Unbound Medicine.