主题:【求助】GC-MS质谱数据

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ynfwii2009
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请问下,在对GC-MS质谱进行分析时,如果出现
50.95151.15252.152.2
100  80  
 101  90 
 102  96 
 103   111
  104  112
  105  113
(第一行是核质比,下面的数值是离子碎片丰度,每一行对应一个保留时间)这一类的数据,能否把50.9,51,51.1看作同一离子碎片,并且把后三个也看作同一离子碎片?
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symmacros
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楼主能不能把数据列表一下,方便看。50.9,51,51.1可以看作同一离子碎片。

ynfwii2009
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原文由 symmacros(jimzhu) 发表:
楼主能不能把数据列表一下,方便看。50.9,51,51.1可以看作同一离子碎片。

多谢你答复,前面只是举个例子,这是部分数据,都还没整理
38.12583826037.97253623936270
39.2674739.1685139.161943848738.1539
40.12115240.121632402128839.1643439.16178
41.12430441.12192841.12079240.1210484022800
42.1244642.1199542.1179641.11810441.118560
43.1835843.1869743.1836342.2185142.12362
44385744325044436043.1757543.17295
45.1106945.1101145.262844469244.14631
50.169550.136050.15084571545355
51.1143751.1158551.1158146.718350753
51.950652.257052.163249.969651.11827
52.249653.1466053.2474851.1221952.2742
53.1546454.2115554106452.289753.14900
ynfwii2009
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原文由 symmacros(jimzhu) 发表:
楼主能不能把数据列表一下,方便看。50.9,51,51.1可以看作同一离子碎片。


54.1166055.11199755.11409053.1485054.2789
55.11363356.2538956.1605554.1154355.111766
56.1640357.1398357.1355055.11469456.15064
57.1302658.23415867356.15557572677
5833959.146359.142357.1330558.1259
5964559.924560.121458.134459396
6020563.24106370458.915561.7254
61.928864.123764.121460.129563591
63.147765.1219565263663560652294
6422166.19616670965.1326966.11204
65181667.11950467.1195526681867.117400
66.181068.2700268.1668167.11688068.17124
67.11854469.12311269.12212868.1708269.120224
68.1845570.2458670409969.12200870.13997
69.12404071.1702971.1560070.1338171.14748
ynfwii2009
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原文由 symmacros(jimzhu) 发表:
楼主能不能把数据列表一下,方便看。50.9,51,51.1可以看作同一离子碎片。


70.1446671.959771.939471.1557472456
71.1614173.2232731577267873.2313
72.18447424277.139657338574.1364
72.916877.1449378.2135674.9310774902
77.1412878.1108379.1754876.117378.11200
7876579.1794180226377.1429979.17800
79.1791280240981.12159278.2728801852
80.2207381.12229682.11177979.1843381.120824
81.12311282.11248683.2384680220682.19320
82.11243383.1366384.1258781.12104083.13666
83.1368284264185161482.111198842569
84.2190885.115468672283.1491485.3888
85.1128886.16038935984.1187986599
867628927191.1608485.1113787.1265
86.916691.156019213938663891.15847
91.1598192135693.1940687229921707
ynfwii2009
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原文由 symmacros(jimzhu) 发表:
楼主能不能把数据列表一下,方便看。50.9,51,51.1可以看作同一离子碎片。


92162693.1716194.1181789.126293.17667
93.1843194193195.11780091.1627794.12451
94.1231995.11555796.1335492136295.115528
95.11581496.1306697.1204793.1815596.13069
96.1324897.2191298.1934941948972139
97155298135998.935195.11637697.91550
98131599.1759102.923796.1261499718
98.939010122310419397.11826101.2191
100.1189102.9415105.1375697.9941102289
101.2283103.5188106.182898.2972102.8606
102.2226104304107.1289199.1691104390
103.2531105.13027108.11166101.71701052713
105.13006106.2635109.115326102.8331106468
106855107.22233110.13960103.2334107.12159
107.12298108.39391112553104.2333108.3572
107.91280109.114319112.213481053919109.115856
109.113650110.13604113.1547106.1579110.14666
symmacros
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楼主只要举个例子即可。不必那么多数据。说明一下每一列(行)是什么内容。楼主还有什么问题?
ynfwii2009
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原文由 symmacros(jimzhu) 发表:
楼主只要举个例子即可。不必那么多数据。说明一下每一列(行)是什么内容。楼主还有什么问题?

这四组数据,对应的是某个保留时间(没有标出),每组的前一列是核质比,后一列是离子丰度。我要列出横标题为核质比,纵标题为保留时间的离子丰度矩阵。由于离子碎片总共有300多,保留时间也取了50多个点,排列比较麻烦,所以就问了上述问题
ynfwii2009
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原文由 symmacros(jimzhu) 发表:
楼主只要举个例子即可。不必那么多数据。说明一下每一列(行)是什么内容。楼主还有什么问题?

纠正下
每组数据对应一个保留时间
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