GB CHAPTER1 MASS SPECTROMETRY APPENDIX B_ COMMON FRAGMENT JONS All fragments listed bear +1 charges, To be used in conjunction with Appendix C. Not all members of homologous and isomeric series are given. ‘The list is meant to be suggestive rather than exhaustive. Appendix Il of Hamming and Foster (1972). Table A-7 of McLafferty’s (1993) interpretative book, and the high-resolution ion data of MeLafferty (1982) are rec. ommended as supplements. 17 OH (CH,})N=C=0, C,H;NHCHCH; cen Sa er EI" CyHy ON’ N’ CH;C=N, Ar (air) | (C3Hs, CHC + H,C,H.NH_ Hq CH, GHy,C:H20° C\H, CH\C=O, GHN (CH,C(=0)H + H, CHsCHNH,, CO; (air), NH;C=0, (CH). 45. CH,CH(OH), CH,CH_OH, CH,OCHs, C(=0)0H cr SL CHF: CHy 53 GHs 54 CH,CH,C=N 55 C\H;, CH;==CHC=O 56 CiHe 57 CiHy, GH 58 CHjC(=0)CH, + H, GH.CHNH;, (CH)):NCH,, GH;NHCH, CHS 59 (CH,);COH, CH,OC;H, CO,CH. NH:C(=0)CH, + H,CH,OCHCH,, CH,CHCH,OH, GH\CHOH, (60 CH,COH + H.CH,ONO| 61 CH,CO; + 2H, CH,CH.SH, CI 65 CH, “Hs 68 CH,CH,CH.C 69. CHy, CF, CH;CH=CHC=< CH=C(CH,)C=0 82 (CH,).C=N, CH, CCL & cu,curas s #C. OX, can.cusc—o.crary D+ KP so Gitin GuH.c=0.0080F 86 C,H,C(=0)CH, + H,C,HyCHNH, and isomers 87 C3H,CO;, Homologs of 73, CH,CH,CO;CH, 88 CH,CO;C:H, + H c 91 (CoHs)CHs, (CoH,)CH +H. (CHSC + 2H, (CH, )8CV, (CcHs)N ES 2 (CH CH, +APPENDIX B_ (Continued) ‘mlz Yons* APPENDIXS 69 93 94 95 96 ” 98 9 CH, 100 Jor 102 103 104 os 106 107 108 109 en (GH)O + A. ; i or oS (CH).C=N CH d - & Os oor C\H,C(=0)CH; +H, C\H),CHNH, CO;C\Hy CH,CO;C:H; + H CO:C\Hy + 2H, CHS, CH(OCHy 1,CHONO, GyHsC=O, CHSC (CyHsNHCH, C\HsCH,O, HO(C,H,)CH:,CsH,”Br? c=0 C.H.CH,O + H, N 7 ~“c=0 So Hy): "Hs, CcHsCHCHy cH. f\c=0 m & s 119 CFCF:, (CHs)C(CHy):, CH,CH(C,H,)CH,, CO(C,H,)CHs pee: a A paoeoecr A 7 KA 121 Gita. tou. soul Lael wn 122 CHsCO, 123 F(CH)C 125 C,H.SO H D, HCO, + 2H ee AN H 131 Cys, GH\CH=CHC=0 135 (CHB? 138 CO(C,HJOH + 139. SCI(CHy)JC=O" 141 CHI 147 (CH) we 149 CY 154 (GH9); O—Si(CH,), Tons indicated as a fragment +nHl (n + 1.23. "Only the more abundant isotope is indicated, ) ae ions that arse via rearrangement involving hydrogen transfer.70 CHAPTER 1 MASS SPECTROMETRY APPENDIX C_ COMMON FRAGMENTS LOST ‘This lis is suggestive rather than comprehensive. It should he recommended as supplements, All of these fragments are lost used in conjunction with Appendix B. Table 5-19 of Hamming as neutral species. and Foster (1972) and Table A-S of McLafferty (1993) are Molecular Ton Minus Fragment Lost (Inference Structure) 1 H. 2 2H, 1s cH, 16 © (ArNO,, amine oxides, sulfoxides); «NH, (carboxamides, sulfonamides) 7 HO- 18 H,0 (alcohols, aldehydes, ketones) 19 F 20 26 CH, “CH 2 H+, HC=N (aromatic nitrites, nitrogen heterocycles) 8 CH,, CO, (quinones) (HCN + H) 29 CH,CH,, (ethyl ketones, ArCH,CH,CH,), “CHO. 30 NH,CH,-, CH,O (AtOCH,), NO (APNO;), CH, 31 OCH,(methyl esters), “CH,OH, CHNH, 2 CHOH.S 3 HS: (thiols), (CH, and HO) 34 H,S (thiols) 35 36 37 38 39 40 CH,C=CH 41 CH, =CHCH,- 2 “cH, NCO, NCNH, 9 ° 8 iH (prpyl ketones, ArCH,—C\H.), CH, €-(methy ketones, CH,EG, where G ~ various foetona groups), CH,=CH—O-, (CH, and CH,=CH,), HCNO “4 CH,=CHOH, CO, (esters, anhydrides), NO, CONH,, NHCH,CH, 45 CH,CHOH, CH,CH,O (ethyl esters), CO,H, CH\CH.NH, 46 (HO and CH,=CH,), CH,CH.OH, “NO, (ArNO,) 47 cH: 48 CH,SH, SO (sulfoxides), O, 49 “CHC SI “CHR, 52 CHa, GNs 33 CH s4 CH,=CH—CH=CH, 55APPENDIX C. APPENDIX C (Continued) Molecular 56 37 58 59 6 2 8 6 68 9 1 B ” 75 6 7 8 9 80 85 190 119 122 127 128 Fragment Lost (Inference Structure) nm (CH,=CHCH.CH,, CH\CH=CHCH,, 20 CuHa- (butyl ketones), CH.CO (ethyl ketones, EtC=0G, G = various structural units) -NCS, (NO + CO}, CH;COCH,, CiHw H o oo | I 1 x CHOC. CHENH, ZA C\HLOH, CH,=C(OH), (acetate estes)" H | & cucu: 2\ (HLS and CH, “CH,CH,CL CHa Ss, 80, CH.) cH, Fy GH, GH, CH=CH. ° cucr.0t cHoH cH, GH,.cs GH.cH GCS, CALN HN C,H,COOH I HI * MeLatferty rearrangement.