EI質譜圖和結構解析ppt課件

1、質譜圖與結構質譜圖與結構解析解析一、飽合烴的質譜圖一、飽合烴的質譜圖二、芳烴的質譜圖二、芳烴的質譜圖三、醇和酚的質譜圖三、醇和酚的質譜圖四、四、 醚的質譜圖醚的質譜圖五、五、 醛、酮的質譜圖醛、酮的質譜圖六、六、 其他化合物的質譜圖其他化合物的質譜圖1. 1. 直鏈烷烴直鏈烷烴1615m/zmethaneM=16一、飽合烴的質譜圖一、飽合烴的質譜圖1008090100605030204070020406080100120140160180200% OF BASE PEAK1030507090110130150170190210220230C2C3C4 C5C6C7m/z=29m/z=43m/z

2、=57m/z=71m/z=8599113 127141155169 183 197C8C9C10C11C12C13C14C16CH3(CH2)14CH3Mm/z=226n-HexadecaneMW 226m/z15294357859911314271正癸烷正癸烷v分子離子：不強分子離子：不強v有有M /e ：29，43，57，71，CnH2n+1 系列峰系列峰(斷斷裂裂)v有有M /e ：27，41，55，69，CnH2n-1 系列峰系列峰v C2H5+（ M /e =29） C2H3+（ M /e =27）+H2v有有M /e ：28，42，56，70，CnH2n系列峰系列峰(四圓環(huán)重排四圓

3、環(huán)重排)2. 2. 支鏈烷烴支鏈烷烴20406080100120140160180200103050709011013015017019021022023010080901006050302040700% OF BASE PEAKC3m/z=43C4m/z=57C5m/z=71C8m/z=85C6m/z=99C7113C9C10C12C16M 15M5-MethylpentadecaneCH3(CH2)3CH(CH2)9CH3CH385 169141573.3.環(huán)烷烴環(huán)烷烴M=84Cyclohexane84(M )56(C4H8+)41(C3H5+)1008090100605030204070

4、% OF BASE PEAK02040608010010305070901100M=9898(M )1008090100605030204070% OF BASE PEAK02040608010010305070901108369554129MethylCyclohexaneCH3m/z=98m/z=8384(M )0204060801001030507090110695541271008090100605030204070% OF BASE PEAKCHCH3CCH3CH2CH3CHCH3CCH3CHCH3CCH3CH2CH3CH2CH3m/z=69m/z=55134(M )10080901

5、00605030204070% OF BASE PEAK02040608010010305070901109177925139120 130 14065CH2CH2CH2CH3二、芳烴的質譜圖二、芳烴的質譜圖CH2CH2CH2CH3CH2m/z=91m/z=91m/z=65m/z=39m/z=134HCCHHCCHCH2CH2CH3H2CCH2CHHCH3CH2HHm/z=92CH2HCCH3CH2CH2CH2CH3m/z=77m/z=134m/z=51HCCHC4H9R2CR1R3OH- R3R2CR1OHm /z: 31,59,73,RHCHCH2OHRHCCH2OHH-H2ORHCCH2

6、RHCCH2(C H2)n(C H2)n(C H2)n(C H2)no r三、醇和酚的質譜圖三、醇和酚的質譜圖RHCHCH2CH2CH2O+HH2C CH2-H2OM - (Alkene + H2O) M-46H2C CH R-RHCHHCCH2CH2O+HCH3H2CHC-H2O-CH3H2C CH R M-60HCCH2H2CCHHH2CRH2CCH2-CH2CHH2CRM-761008090100605030204070% OF BASE PEAKCH2OHM - (H2O and CH2 CH2)M - (H2O and CH3)M - H2OM - 11-PenTanol MW88C

7、H3(CH2)3 CH2OH314060801001201401030507090110130150020100809010060503020407020406080100120140% OF BASE PEAK1030507090110130150M - (H2O and CH3)M - H2OM - CH3M - 1M2 -PenTanol MW88OHCH3(CH2)2CH3HC4545M - (H2O andCH2 CH2)0100809010060503020407020406080100120140% OF BASE PEAK1030507090110130150M - (H2O

8、andCH2 CH2)M - (H2O and CH3)M - CH3M - H2OOHCH3CH2CH3C59CH32-Methyl-2-butanol MW88059CH2OHHOH-m/z=108m/z=107-COHH-H2HHHHHm/z=79m/z=77H2CCH2HOHCH2CH2H2O-H2COHOHCH2OH2O-OHm/z=94OHHHH- COH - CHOm/z=66m/z=65CH2CH3OHCH2OH-CH3m/z 107 (100%)CHCH3OHm/z 121 (3.5%)- H1008090100605030204070020406080100120140%

9、OF BASE PEAK1030507090110130150o-Ethylphenol122(M)M-CH3MM-H2OC6H51008090100605030204070020406080100120140% OF BASE PEAK1030507090110130150CH3CH257M-CH3CH2M-CH3MEthyl sec-butyl etherMW 10273298757H3CCHOHCH3CH2HCCH3OCH2CH345297387102四、四、 醚的質譜圖醚的質譜圖020406080100120140160180200507090110130150170190210220

10、 23010080901006050302040700% OF BASE PEAKC6H5ClCM M+1M+2M+3M+4p-Chlorobenzophenone216(M) 100.0217(M+1) 19.28218(M+2) 33.99219(M+3) 6.21220(M+4) 0.98OC OCl1030ClCO五、五、 醛、酮的質譜圖醛、酮的質譜圖55M0204060801001030507090422769108090100605030204070% OF BASE PEAK098O1008090100605030204070% OF BASE PEAK57M-CH2CH2M-H

11、2OMMW 1424060801001201401030507090110130150020M-1M-44M-43CH3(CH2)7CHO44OCh3(CH2)4CO (small) 99CH3(CH2)4 71CH3(CH)3 57CH3(CH2)2 43CH3CH2 29CH3 CH2 CH2 CH2 CH2 C OH45 CO2H59(small) CH2CO2H73 (CH2)2CO2H87 (CH2)3CO2H1008090100605030204070020406080100120140% OF BASE PEAK1030507090110130150Figure 2.14. Me

12、thyl OcatanoateCOCH3OCH2CH2OCH3O121M-31MM+1M+2Methyl octanoateCH3(CH2)6COOCH3158(M)159(M+1)160(M+2)160875974COHOCH3H2C六、六、 其他化合物的質譜圖其他化合物的質譜圖129(M )1008090100605030204070% OF BASE PEAK0204060801001030507090110861144429120 130 14058CHN CH2CH3CH2CH2CH3CH3CH3M=1131008090100605030204070% OF BASE PEAKNH84564127CH2H3C70113(M )20406080100103