Abstract: A derivatizing reagent, set of derivatizing reagents, and derivatizing techniques are provided herein for the relative quantitation, absolute quantitation, or both, of analytes containing carboxyl and/or phenolic functional groups including those analytes that may be difficult to analyze via mass spectrometry using traditional techniques of ionization. By way of non-limiting examples, such analytes can include fatty acids, carnitines, eicosanoids, and estrogens. Methods for producing the derivatizing reagent are also disclosed.

Abstract: Systems and methods are provided for microbial identification using cleavable tags. Control information is sent to a mass spectrometer to fragment one or more nucleic acid primers labeled with a first tag and monitor for an intensity of the first tag in a mass spectrometry (MS) method. An ion source provides a beam of ions from a polymerase chain reaction amplified sample that includes one or more nucleic acid primers labeled with the first tag. The first tag binds to one or more nucleic acid primers of a known microbe and is cleaved from the nucleic acid primers during the MS method. The mass spectrometer receives the beam of ions and is adapted to perform the MS method on the beam of ions. If the intensity of the first tag received from the mass spectrometer exceeds a threshold value, the known microbe is identified in the sample.

Abstract: Systems and methods are provided for microbial identification using cleavable tags. Control information is sent to a mass spectrometer to fragment one or more nucleic acid primers labeled with a first tag and monitor for an intensity of the first tag in a mass spectrometry (MS) method. An ion source provides a beam of ions from a polymerase chain reaction amplified sample that includes one or more nucleic acid primers labeled with the first tag. The first tag binds to one or more nucleic acid primers of a known microbe and is cleaved from the nucleic acid primers during the MS method. The mass spectrometer receives the beam of ions and is adapted to perform the MS method on the beam of ions. If the intensity of the first tag received from the mass spectrometer exceeds a threshold value, the known microbe is identified in the sample.

Abstract: Methods, compositions, kits, and apparatuses for MS-based quantification of a target analyte (e.g., a peptide, a hormone) in a sample are provided for increasing the productivity and/or throughput of samples by reducing the time and/or cost associated with conventional techniques for external instrument calibration that typically utilize a series of calibrators that are sequentially run through the same analytical process as a batch of samples. In various aspects, calibration mixtures are provided containing a known quantity of a plurality of calibrants for a target analyte of interest, with each calibrant being distinguishable in the calibration mixture by mass spectrometry such that a complete calibration curve can be generated from a single external calibration run.

Abstract: Systems and methods are provided for microbial identification using cleavable tags. Control information is sent to a mass spectrometer to fragment one or more nucleic acid primers labeled with a first tag and monitor for an intensity of the first tag in a mass spectrometry (MS) method. An ion source provides a beam of ions from a polymerase chain reaction amplified sample that includes one or more nucleic acid primers labeled with the first tag. The first tag binds to one or more nucleic acid primers of a known microbe and is cleaved from the nucleic acid primers during the MS method. The mass spectrometer receives the beam of ions and is adapted to perform the MS method on the beam of ions. If the intensity of the first tag received from the mass spectrometer exceeds a threshold value, the known microbe is identified in the sample.

Abstract: Systems and methods are provided for microbial identification using cleavable tags. Control information is sent to a mass spectrometer to select a peptide labeled with a first tag of a known microbe, fragment the labeled peptide of the known microbe, and monitor for an intensity of the first tag in an MRM method using a processor. An ion source provides a beam of ions from a sample that includes peptides labeled with the first tag. The first tag binds to a peptide of a known microbe and is cleaved from the peptide of the known microbe during mass spectrometry. The mass spectrometer receives the beam of ions and is adapted to perform the MRM method on the beam of ions. If the intensity of the first tag received from the mass spectrometer exceeds a threshold value, the known microbe is identified in the sample using the processor.

Abstract: Labeling reagents, sets of labeling reagents, and labeling techniques are provided for the relative quantitation, absolute quantitation, or both, of ketone or aldehyde compounds including, but not limited to, analytes comprising steroids or ketosteroids and includes testosterone. The analytes can be medical or pharmaceutical compounds in biological samples. Methods for labeling, analyzing, and quantifying ketone or aldehyde compounds are also disclosed as are methods that also use mass spectrometry.

Abstract: A method is described for mass spectrometric analysis, detection and quantification of catecholamines. The methods can comprise reacting the catecholamines with a 4-aminoantipyrine reagent and detecting and/or quantifying the adduct produced by the reaction. The methods can also allow for multiplexing. Compounds formed by the reactions are also provided.

Abstract: A method is described for mass spectrometric analysis of a sample comprising phenolic OH, such as a steroid comprising a phenolic OH, using a quaternary amino oxy Cookson (QAOC) reagent. The QAOC reagent can improve ionization and fragmentation properties of phenolic OH samples, which can thereby improve quantitation and identification. The method can include derivatizing the phenolic OH sample with the QAOC reagent to create an adduct and analyzing the adduct using mass spectrometry. Derivatization of the sample can be a one-step reaction where the QAOC reagent comprises an aminooxy MS tag or can be a multi-step reaction, where the adduct is formed by the reaction of carbonyl substituted PTAD based reagent and the sample followed by combination with an aminooxy MS tag. The sample can also be enriched prior to reacting it with the reagent. The method can also allow for multiplexing.

Abstract: Labeling reagents, sets of labeling reagents, and labeling techniques are provided for the relative quantitation, absolute quantitation, or both, of ketone or aldehyde compounds including, but not limited to, analytes comprising steroids or ketosteroids and includes testosterone. The analytes can be medical or pharmaceutical compounds in biological samples. Methods for labeling, analyzing, and quantifying ketone or aldehyde compounds are also disclosed as are methods that also use mass spectrometry.

Abstract: Systems and methods are provided for microbial identification using cleavable tags. Control information is sent to a mass spectrometer to select a peptide labeled with a first tag of a known microbe, fragment the labeled peptide of the known microbe, and monitor for an intensity of the first tag in an MRM method using a processor. An ion source provides a beam of ions from a sample that includes peptides labeled with the first tag. The first tag binds to a peptide of a known microbe and is cleaved from the peptide of the known microbe during mass spectrometry. The mass spectrometer receives the beam of ions and is adapted to perform the MRM method on the beam of ions. If the intensity of the first tag received from the mass spectrometer exceeds a threshold value, the known microbe is identified in the sample using the processor.

Abstract: Labeling reagents, sets of labeling reagents, and labeling techniques are provided for the relative quantitation, absolute quantitation, or both, of ketone or aldehyde compounds including, but not limited to, analytes comprising steroids or ketosteroids. The analytes can be medical or pharmaceutical compounds in biological samples. Methods for labeling, analyzing, and quantifying ketone or aldehyde compounds are also disclosed as are methods that also use mass spectrometry.

Abstract: A method is described for mass spectrometric analysis, detection and quantification of catecholamines. The methods can comprise reacting the catecholamines with a 4-aminoantippyrine reagent and detecting and/or quantifying the adduct produced by the reaction. The methods can also allow for multiplexing. Compounds formed by the reactions are also provided.

Abstract: Quantification of vitamin D2, vitamin D3, and the monohydroxy and diihydroxy metabolites of vitamin D2 and vitamin D3, can comprise labeling analytes with mass spectrometry (MS) tagging reagents and performing LC-MSMS analysis of the labeled analytes. The labeled analytes can include a labeled standard and can have distinct retention times on a reversed phase column, as well as distinct masses. Under high energy collisions, reporter groups can be generated. The intensity or the peak area detected for each reporter group can be used for quantitation. In some embodiments, a one-step tagging reagent is used that is a dienophile-containing, labeled m Diels Alder reagent.

Abstract: Provided herein are labeling reagents for analyte determination in a sample, and methods of manufacturing the labeling reagents. By way of non-limiting example, analytes may include one or more of peptides, proteins, nucleic acid molecules, carbohydrates, lipids, steroids and/or small molecules. Also provided are labeled analytes themselves after one or more labeling reagents binds to an analyte. Analytes may be labeled for determination of the analyte by mass analysis, such as by mass spectrometry. Further provided are compounds that may be used in making the labeling reagents and labeled analytes, such as reporter group compounds. Also provided are kits that include at least one labeling reagent, and may further include or more other reagents, containers, enzymes, buffers, a labeled analyte (e.g., as a standard) and/or instructions. Further examples are also possible.

Abstract: A method is described for mass spectrometric analysis of a sample comprising phenolic OH, such as a steroid comprising a phenolic OH, using a quaternary amino oxy Cookson (QAOC) reagent. The QAOC reagent can improve ionization and fragmentation properties of phenolic OH samples, which can thereby improve quantitation and identification. The method can include derivatizing the phenolic OH sample with the QAOC reagent to create an adduct and analyzing the adduct using mass spectrometry. Derivatization of the sample can be a one-step reaction where the QAOC reagent comprises an aminooxy MS tag or can be a multi-step reaction, where the adduct is formed by the reaction of carbonyl substituted PTAD based reagent and the sample followed by combination with an aminooxy MS tag. The sample can also be enriched prior to reacting it with the reagent. The method can also allow for multiplexing.

Abstract: A method, a labeling reagent, sets of labeling reagents, and labeling techniques are provided for the relative quantitation, absolute quantitation, or both, of ketone or aldehyde compounds including, but not limited to, analytes comprising steroids or ketosteroids. The analytes can be medical or pharmaceutical compounds in biological matrices. Methods for labeling, analyzing, and quantifying ketone or aldehyde compounds are also disclosed as are methods that also use mass spectrometry.

Abstract: This invention pertains to methods, mixtures, kits and compositions pertaining to analyte determination and/or quantification by mass spectrometry using compounds comprising a reporter moiety and a non-encoded detectable label. The compounds can be used in sets for the analysis of mixtures of labeled analytes.

Abstract: Quantification of vitamin D2, vitamin D3, and the monohydroxy and diihydroxy metabolites of vitamin D2 and vitamin D3, can comprise labeling analytes with mass spectrometry (MS) tagging reagents and performing LC-MSMS analysis of the labeled analytes. The labeled analytes can include a labeled standard and can have distinct retention times on a reversed phase column, as well as distinct masses. Under high energy collisions, reporter groups can be generated. The intensity or the peak area detected for each reporter group can be used for quantitation. In some embodiments, a one-step tagging reagent is used that is a dienophile-containing, labeled m Diels Alder reagent.

Abstract: Labeling reagents, sets of labeling reagents, and labeling techniques are provided for the relative quantitation, absolute quantitation, or both, of ketone or aldehyde compounds including, but not limited to, analytes comprising steroids or ketosteroids. The analytes can be medical or pharmaceutical compounds in biological samples. Methods for labeling, analyzing, and quantifying ketone or aldehyde compounds are also disclosed as are methods that also use mass spectrometry.