喂借个微笑22389917
常用毛细管柱
柱型号 质谱图中
SE-30 73、 147、167、207、221、267、281、327、355、415、429、503 SE-54 73、 147、156、207、221、253、281、327、355、405、429
DB-5 73、 147、156、191、207、253、281、327、331、405、443
OV-1 73、 147、191、207、221、253、281、341、355、415、429、503
OV-101 73、 147、163、191、207、221、281、325、355、415、429、503 OV-17 73、 147、197、221、253、281、327、355
OV-225 73、 135、156、197、253、269、313、327、343、403、405、417 FFAP 57、 69、 97、 123、173、191、207、219、240、264、289、305、382 PEG 131、133、147、161、163、191、195、205、207、221、281、355
附录V___质谱中一些常见碎片离子
附录V 质
m/z 碎片 离 子 m/z 碎 片 离 子 14 CH 2O73 C-OCH,CHOCH25372 15 CH 3
16 O O74 --(CHCOCH+H)23 17 OH
18 HO, NH 75 (COOCH+2H), CHSCH 2425 22519 F 77 CH 6520 HF 78 (CH+H) 65
CN26 H+2H), Br 79 (C 6527 CH 23
,(CHSS+H),HBr380 CHN2H 28 CH, CO, N 242
29 CH, CHO 25
81 CHO2 30 CHNH, NO 22
32 CHOH, OCH 82 (CH)C=N 232433 SH 83 CH 61134 HS 85 CH, CHC=O 26134935 Cl 86 (CHCOCH+H), CHCHNH 37249236 HCl 87 COOCH 3739 CH 88 (CHCOOCH+H) 33225
CHCN40 2C(COOCH+2H),89 37
N+ H)CH, (CHC41 352
42 CH 36CH90 CHCHONO,32 43 CH,CHC=O 373
44 CO,(CHCHO+H),CHCHNH 2232CH291
45 CHCHOH,CHCHOH,CHOCH 3223
46 NO 2CH2CH92 2+ H N47 CHSH,CHS 23
48 CHS+H 3O94 + HC=ON H54 CHCHC-N 22
55 CH 47
95
C=O O56 CH 48
(CH)CN57 CH,CHC=O 96 49253558 (CHCOCH+H), CHCHNH 32252
97 CH,713CHS2 (CH)CN68 23
69 CH,CF, CHCO 99 CH 5933571570 CH, (CHCO+H) 100 (CHCOCH+H), CHCHNH 5105492511271 CH,CHC=O 51157
经典质谱碎片峰数值参考
经典质谱分析
[29] [CH3O+] [醛、
[29] [C2H5+] [含烷
──────────────────────
[30] [CH2=NH2+] [脂肪胺]
──────────────────────
[31] [CH2=OH+] [醇、
[31] [CH3O+] [甲酯类]
──────────────────────
[33] [CH3OH2+] [醇、多元
──────────────────────
[34] [H2S+?] [硫
──────────────────────
[35] [H3S+] [硫醇、硫醚]
[35] [Cl+] [氯化物]
──────────────────────
[36] [HCl+?] [氯化物]
──────────────────────
[39] [C3H3+] [烯、炔、芳
──────────────────────
[41] [C3H5+] [烷、烯、醇]
──────────────────────
[42] [C3H6+?] [环烷烃、环
[42] [C2H4N+] [环
──────────────────────
[43] [CH3CO+] [含CH3CO-化合物]
[43] [CONH+?] [
[43] [C3H7+] [烃基、丁酰基]
──────────────────────
[44] [C2H6N+] [脂肪胺]
[44] [CONH2+] [
[44] [CH2=CH-OH+?] [脂肪醛]
──────────────────────
[45] [COOH+] [脂肪酸]
[45] [C2H5O+] [含乙氧
[45] [CH2=O-CH3+] [甲基醚]
[45] [CH3-CH=OH+] [α-甲基醇]
[45] [HC=S+] [硫
──────────────────────
[46] [NO2+] [硝酸酯]
[46] [CH2S+] [硫醚]
──────────────────────
[47] [CH2=SH+][甲硫
──────────────────────
[50][C4H2+?][芳基、吡啶
──────────────────────
[51][C4H3+][芳基、吡啶
──────────────────────
[52][C4H4+][芳基、吡啶
──────────────────────
[55][C4H7+][烷、烯、丁酯、伯
[55][C3H3O+][环酮]
──────────────────────
[56][C3H6N+][环胺]
[56][C4H8+?][环烷、
──────────────────────
[57][C4H9+][丁基化合物、环
──────────────────────
[58][CH3COCH3+?][甲基酮]
[58][(CH3)2N=CH2+][
[58][EtCH=NH2+][α-
──────────────────────
[59][C3H7O+][α-取
[59][COOCH3+][甲酯]
[59][CH2=C(OH)NH2+?][伯酰胺]
─────────────
─────────
[60][CH2=C(OH)2+?][羧酸]
[60][C2H4S+?][饱和
──────────────────────
[61][CH3COOH2+][醋酸酯的
[61][C2H5S+][硫醚]
──────────────────────
[63][C5H3+][芳香化物]
──────────────────────
[64][C5H4+?][芳香化物]
──────────────────────
[65][C5H5+][芳香化物]
──────────────────────
[66][C5H6+?][芳香化
──────────────────────
[77][C6H5+][苯基取代物]
──────────────────────
[78][C6H6+?][苯基取代物]
──────────────────────
[91][C7H7+][苄基化合物]
──────────────────────
[94][C6H6O+?][苯醚、苯酚类]
──────────────────────
[105][C6H6CO+][苯甲酰类
[汇集]经典质谱碎片峰数值参考
经典质谱
经典质谱分析
[29] [CH3O+] [醛、酚、呋喃]
[29] [C2H5+] [含烷基
?????????????????????? [30] [CH2=NH2+] [脂肪胺]
?????????????????????? [31] [CH2=OH+] [醇、醚、缩醛]
[31] [CH3O+] [甲酯类]
?????????????????????? [33] [CH3OH2+] [醇、多元醇、羟基酯] ?????????????????????? [34] [H2S+?] [
?????????????????????? [35] [H3S+] [硫醇、硫醚]
[35] [Cl+] [氯化物]
?????????????????????? [36] [HCl+?] [氯化物]
?????????????????????? [39] [C3H3+] [烯、炔、芳香化合物] ?????????????????????? [41] [C3H5+] [
?????????????????????? [42] [C3H6+?] [环烷烃、环烯、戊酰
?????????????????????? [43] [CH3CO+] [含CH3CO-化合物]
[43] [CONH+?] [伯
[43] [C3H7+] [烃基、丁酰基]
?????????????????????? [44] [C2H6N+] [脂肪胺]
[44] [CONH2+] [伯
[44] [CH2=CH-OH+?] [
?????????????????????? [45] [COOH+] [脂肪酸]
[45] [C2H5O+] [含乙氧基
[45] [CH2=O-CH3+] [
[45] [CH3-CH=OH+] [α-甲基醇]
[45] [HC=S+] [硫醇、硫醚]
?????????????????????? [46] [NO2+] [硝酸酯]
[46] [CH2S+] [硫醚]
?????????????????????? [47] [CH2=SH+][甲硫醚、硫醇]
?????????????????????? [50][C4H2+?][芳基、吡啶基化合物]
?????????????????????? [51][C4H3+][芳基、吡啶基化合物]
?????????????????????? [52][C4H4+][芳基、吡啶基化合物]
?????????????????????? [55][C4H7+][烷、烯、丁酯、伯
?????????????????????? [56][C3H6N+][环胺]
[56][C4H8+?][环烷、戊
?????????????????????? [57][C4H9+][丁
[58][(CH3)2N=CH2+][脂
[58][EtCH=NH2+][α-乙
?????????????????????? [59][C3H7O+][α-取代醇、醚]
[59][COOCH3+][甲酯]
[59][CH2=C(OH)NH2+?][伯酰胺]
?????????????????????? [60][CH2=C(OH)2+?][羧酸]
[60][C2H4S+?][饱和含
?????????????????????? [61][CH3COOH2+][醋酸酯的
?????????????????????? [63][C5H3+][芳香化物]
?????????????????????? [64][C5H4+?][芳香化物]
?????????????????????? [65][C5H5+][芳香化物]
?????????????????????? [66][C5H6+?][
?????????????????????? [77][C6H5+][苯基取代物]
?????????????????????? [78][C6H6+?][苯基取代物]
?????????????????????? [91][C7H7+][苄基化合物]
?????????????????????? [94][C6H6O+?][苯醚、苯酚类]
?????????????????????? [105][C6H6CO+][苯甲酰类化合物]
质谱常见背景峰
C R O S S P L A T F O R M I N N O V A T I O N
1 888 220 2998 w w w. n e wo b j e c t ive. c o m
1
Technical Note PV-3
Common Background Ions for Electrospray
(Positive Ion)
101 (M+Na)+ DMSO
102 (M+H)+
triethylamine (TEA)
104/106 (M+Cu)+
acetonitrile 105 (2M+Na)+ acetonitrile
120 (M+Na+CH3CN) +
DMSO 122 (M+H)+ Tris 123 (M+H)+ dimethylaminopyridine (DMAP)
130 (M+H)+
diisopropylethylamine (DIPEA)
137 (M+ACN+NH4) +
DMSO 144 (M+H)+ tripropylamine (TPA)
145/147 (2M+Cu)+
acetonitrile
146 (3M+Na)+
acetonitrile 150 (M+H)+ phenyldiethylamine
153
(M+H)+
1,8-diazabicyclo[5.4.0]undec-7-ene (DBU)
157 (2M+H)+
DMSO 159 (M+Na)+ sodium tri?uoroacetate
179 (2M+Na)+
DMSO
186 (M+H)+
tributylamine 214 Unknown surfactant217 Unidenti?ed contaminant
225 (M+H)+
dicyclohexyl urea (DCU)231 (M+NH3) + Unknown ?
239/241 [(M.HCl)2-Cl]+ triethylamine 242 M+ tetrabutylammonium (C4H 9) 4N + 243 M + trityl cation
257 (3M+H)+
DMSO
m/z
Ion Compound Common nanospray
background of 50% ACN, 0.1% Formic Acid*
050151025203530454055506560
75708580959001R e a v e A b u n d a n c e
203030454055506560707080809590
01z
m 9
. 4440
. 1739
. 5447
. 7838
. 16
4267 (M+H)+ tributylphosphate
273 M + monomethoxytrityl cation (MMT) 279 (M+H)+
dibutylphthalate (plasticiser)
282
plasticizer in polyethylene
301 (M+Na)+
dibutylphthalate (plasticiser) 317
(M+K)+
dibutylphthalate (plasticiser)
336
(M+H)+ tributyl tin formate
338 (M+H)+
erucamide
360 (M+Na)+
erucamide 371 (M+H)+ polysiloxane, followed by 388
391 (M+H)+
diisooctyl phthalate (plasticiser)
413 (M+Na)+
diisooctyl phthalate (plasticiser) 425 (M+Na)+ unidenti?ed contaminant
(plasticiser)
429 (M+K)+
diisooctyl phthalate (plasticiser)
445 (M+H)+
polysiloxane, followed by 462449 (2M+H)+ dicyclohexyl urea (DCU)
454
(M+Na+CH3CN) +
diisooctyl phthalate (plasticiser)
522 Unknown ? 550 Unknown ?
798 (2M+NH4) + diisooctyl phthalate (plasticiser)
803 (2M+Na)+
diisooctyl phthalate (plasticiser)PEG polymers exhibit peaks 44 amu apartCommon Adducts:(M+NH4) + (M+18)(M+Na)+ (M+23)
(M+K)+
m/z
Ion
Compound
The information contained in this document is believed reliable and accurate; however, nothing set forth herein constitutes a warranty or representation of any kind or nature. ?2004 New Objective, Inc. All rights reserved.
* See Andreas Schlosser and Rudolf Volkmer-Engert “Volatile polydimethylcyclosiloxanes in the ambient laboratory air identi?ed as source of extreme background signals in
nanoelectrospray mass spectrometry”, J. Mass. Spectrom. 2003; 38: 523-525 for more information on these common background ions.
? Derived from rubber tip from disposable syringe plunger
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