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Mass Spectrometry Functional Group Examples

The document provides examples of mass spectrometry patterns for different functional groups. It lists alcohols, aldehydes, alkanes, amides, amines, aromatics, carboxylic acids, esters, ethers, halides, and ketones. For each group, it gives one or two example compounds and describes common fragmentation patterns seen in their mass spectra, such as losses of water, carbon monoxide, or alkyl groups.

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Mohamed Dahmane
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157 views5 pages

Mass Spectrometry Functional Group Examples

The document provides examples of mass spectrometry patterns for different functional groups. It lists alcohols, aldehydes, alkanes, amides, amines, aromatics, carboxylic acids, esters, ethers, halides, and ketones. For each group, it gives one or two example compounds and describes common fragmentation patterns seen in their mass spectra, such as losses of water, carbon monoxide, or alkyl groups.

Uploaded by

Mohamed Dahmane
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Download as PDF, TXT or read online on Scribd

5/10/2015 IntrotoMS\Examples

Introduction to Mass SpectrometryExamples


Followingareexamplesofcompoundslistedbyfunctionalgroup,whichdemonstrate
patternswhichcanbeseeninmassspectraofcompoundsionizedbyelectronimpact
ionization.Theseexamplesdonotprovideinformationaboutthefragmentationmechanisms
thatcausethesepatterns.Additionalinformationcanbefoundinmassspectrometry
referencebooks.

Scrollthroughthispage,orusethislisttomovetoselectfunctionalgroups(QUIZ!
linksyoutoatutorialquizforthatfunctionalgroup):

AlcoholQUIZ! AmineQUIZ! EtherQUIZ!


AldehydeQUIZ! Aromatic HalideQUIZ!
AlkaneQUIZ! CarboxylicAcidQUIZ! KetoneQUIZ!
AmideQUIZ! EsterQUIZ! ReturntoCONTENTS


Alcohol:
Analcohol'smolecularionissmallornonexistent.CleavageoftheCCbondnexttothe
oxygenusuallyoccurs.AlossofH2Omayoccurasinthespectrabelow.

3Pentanol
C5H12O
MW=88.15

Aldehyde
Cleavageofbondsnexttothecarboxylgroupresultsinthelossofhydrogen(molecularion
less1)orthelossofCHO(molecularionless29).

3Phenyl2propenal
C9H8O
MW=132.16
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5/10/2015 IntrotoMS\Examples

Alkane
Molecularionpeaksarepresent,possiblywithlowintensity.Thefragmentationpattern
containsclustersofpeaks14massunitsapart(whichrepresentlossof(CH2)nCH3).

Hexane
C6H14
MW=86.18

Amide
PrimaryamidesshowabasepeakduetotheMcLaffertyrearrangement.

3Methylbutyramide
C5H11NO
MW=101.15

Amine
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5/10/2015 IntrotoMS\Examples

Molecularionpeakisanoddnumber.Alphacleavagedominatesaliphaticamines.

nButylamine
C4H11N
MW=73.13

Anotherexampleisasecondaryamineshownbelow.Again,themolecularionpeakisan
oddnumber.ThebasepeakisfromtheCCcleavageadjacenttotheCNbond.

nMethylbenzylamine
C8H11N
MW=121.18

Aromatic
Molecularionpeaksarestrongduetothestablestructure.

Naphthalene
C10H8
MW=128.17

CarboxylicAcid
Inshortchainacids,peaksduetothelossofOH(molecularionless17)andCOOH
(molecularionless45)areprominentduetocleavageofbondsnexttoC=O.
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5/10/2015 IntrotoMS\Examples

2Butenoicacid
C4H6O2
MW=86.09

Ester
FragmentsappearduetobondcleavagenexttoC=O(alkoxygrouploss,OR)and
hydrogenrearrangements.

Ethylacetate
C4H8O2
MW=88.11

Ether
Fragmentationtendstooccuralphatotheoxygenatom(CCbondnexttotheoxygen).

Ethylmethylether
C3H8O
MW=60.10

Halide
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5/10/2015 IntrotoMS\Examples

Thepresenceofchlorineorbromineatomsisusuallyrecognizablefromisotopicpeaks.

1Bromopropane
C3H7Br
MW=123.00

Ketone
MajorfragmentationpeaksresultfromcleavageoftheCCbondsadjacenttothecarbonyl.

4Heptanone
C7H14O
MW=114.19

ReturntoTOPOFPAGEReturntoCONTENTS

Ifyouhavecommentsorsuggestions,[email protected]

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