主题：【求助】茉莉精油成分求定性

原文由 feiniao(feiniao) 发表:

原文由 gaogao0214(hygao8410) 发表:
未知峰有点多，大家抽空给看下，谢谢

27.404 

30.747    6,10,14-三甲基-2-十五酮

33.718

34.410  异植醇  Isophytol

35.291  茉莉酮酸甲酯Methyl jasmonate

37.654

37.805

38.625

39.127

39.487

40.985  植醇

52.795

剩余的不知道，交给jimzhu了。

原文由 symmacros(jimzhu) 发表:
我大致花了几分钟看了一下，没有挑出来看，列出amdis和保留指数校正的结果，请参考：（你看后告诉我，我会随后删掉，不保留）

Time	Name	TIC%
2.906	ALCOHOL	>>0.007
8.234	HEXYL ACETATE	0.001
9.353	HEXENYL ACETATE, 3E-	0.002
9.932	METHYL HEPTENONE, 6,5,2-	0.002
11.054	HEXENOL, 3Z-	0.006
12.714	Hexadecane, 2,6,10,14-tetramethyl-	0.048
13.295	HEXENYL BUTYRATE, 3E-	0.001
15.691	LINALOOL	3.111
16.000	LINALYL ACETATE	0.048
17.858	METHYL BENZOATE	0.082
19.857	TERPINEOL, ALPHA-	0.001
20.789	BENZYL ACETATE	19.931
21.322	FARNESENE, 3E,6E-ALPHA-	1.547
22.050	METHYL SALICYLATE	0.043
23.056	PHENYLETHYL ACETATE, 2-	0.039
24.091	GERANYLPROPANONE	0.039
24.569	BENZYLALCOHOL	1.140
25.989	Neophytadien = 1-Hexadecen, 7,11,15-trimethyl-3-methylen-	0.452
26.293	JASMONE TRANS-	1.713
26.719	3,7,11,15-Tetramethyl-2-hexadecen-1-ol	0.062
27.404	Neophytadien = 1-Hexadecen, 7,11,15-trimethyl-3-methylen-?	0.155
28.660	Nerolidol, trans-	0.106
29.492	HEXYL BENZOATE	0.072
29.669	CRESOL, P-	0.140
30.195	Heneicosane	0.084
30.331	BENZYL TIGLATE	0.034
30.664	HEXENYL BENZOATE, 3Z-	1.453
30.746	PENTADECANONE, 6,10,14-TRIMETHYL-2-	0.530
31.141	HEXENYL BENZOATE, 2E-	0.040
31.599	EUGENOL	1.540
32.801	METHYL HEXADECANOATE	2.335
33.204	METHYL ANTHRANILATE	0.044
33.658	JASMINLACTONE	0.810
33.719	Jasminlactone+ethanol reaction	0.273
34.409	ISOPHYTOL	8.265
34.732	LINALOOL, 8E-HYDROXY-	0.103
34.926	Dodecanoic acid, 3,7,11-trimethyl-, methyl ester	0.072
35.292	METHYL JASMONATE	0.847
37.244	METHYL STEARATE	0.178
37.552	INDOLE	2.544
37.656	METHYL OLEATE	1.059
37.804	METHYL ELAIDINOATE	0.212
38.295	METHYL N-ACETYLANTHRANILATE	0.791
38.364	m/z 114,55,57...?	0.321
38.398	m/z 123,57,68...?	0.322
38.625	METHYL-9E,12E-OCTADECADIENOATE	0.327
39.128	PHYTOL ACETATE  E	8.052
39.487	GERANYLLINALOOL	3.756
39.982	METHYL LINOLEATE	3.927
40.264	unkown (四个双键的烯烃）	0.159
40.629	Linolenic acid methyl ester	0.089
40.986	PHYTOL	12.965
41.270	BENZYL BENZOATE	12.126
44.082	Linolenoic acid methyl ester	0.117
49.541	PALMITIC ACID
52.795	SQUALENE	5.466

SUM

97.582

原文由 symmacros(jimzhu) 发表:
注意，我的软件可以在几分钟给出结果，但需要人工适当的核对和检索补充，其它峰的结果你自己也核对一下。

原文由 symmacros(jimzhu) 发表:
不知道和你自己鉴定结果有多大出入？因为我今天较忙，没有很仔细的一一核对。

原文由 gaogao0214(hygao8410) 发表:

原文由 symmacros(jimzhu) 发表:
我大致花了几分钟看了一下，没有挑出来看，列出amdis和保留指数校正的结果，请参考：（你看后告诉我，我会随后删掉，不保留）

Time	Name	TIC%
2.906	ALCOHOL	>>0.007
8.234	HEXYL ACETATE	0.001
9.353	HEXENYL ACETATE, 3E-	0.002
9.932	METHYL HEPTENONE, 6,5,2-	0.002
11.054	HEXENOL, 3Z-	0.006
12.714	Hexadecane, 2,6,10,14-tetramethyl-	0.048
13.295	HEXENYL BUTYRATE, 3E-	0.001
15.691	LINALOOL	3.111
16.000	LINALYL ACETATE	0.048
17.858	METHYL BENZOATE	0.082
19.857	TERPINEOL, ALPHA-	0.001
20.789	BENZYL ACETATE	19.931
21.322	FARNESENE, 3E,6E-ALPHA-	1.547
22.050	METHYL SALICYLATE	0.043
23.056	PHENYLETHYL ACETATE, 2-	0.039
24.091	GERANYLPROPANONE	0.039
24.569	BENZYLALCOHOL	1.140
25.989	Neophytadien = 1-Hexadecen, 7,11,15-trimethyl-3-methylen-	0.452
26.293	JASMONE TRANS-	1.713
26.719	3,7,11,15-Tetramethyl-2-hexadecen-1-ol	0.062
27.404	Neophytadien = 1-Hexadecen, 7,11,15-trimethyl-3-methylen-?	0.155
28.660	Nerolidol, trans-	0.106
29.492	HEXYL BENZOATE	0.072
29.669	CRESOL, P-	0.140
30.195	Heneicosane	0.084
30.331	BENZYL TIGLATE	0.034
30.664	HEXENYL BENZOATE, 3Z-	1.453
30.746	PENTADECANONE, 6,10,14-TRIMETHYL-2-	0.530
31.141	HEXENYL BENZOATE, 2E-	0.040
31.599	EUGENOL	1.540
32.801	METHYL HEXADECANOATE	2.335
33.204	METHYL ANTHRANILATE	0.044
33.658	JASMINLACTONE	0.810
33.719	Jasminlactone+ethanol reaction	0.273
34.409	ISOPHYTOL	8.265
34.732	LINALOOL, 8E-HYDROXY-	0.103
34.926	Dodecanoic acid, 3,7,11-trimethyl-, methyl ester	0.072
35.292	METHYL JASMONATE	0.847
37.244	METHYL STEARATE	0.178
37.552	INDOLE	2.544
37.656	METHYL OLEATE	1.059
37.804	METHYL ELAIDINOATE	0.212
38.295	METHYL N-ACETYLANTHRANILATE	0.791
38.364	m/z 114,55,57...?	0.321
38.398	m/z 123,57,68...?	0.322
38.625	METHYL-9E,12E-OCTADECADIENOATE	0.327
39.128	PHYTOL ACETATE  E	8.052
39.487	GERANYLLINALOOL	3.756
39.982	METHYL LINOLEATE	3.927
40.264	unkown (四个双键的烯烃）	0.159
40.629	Linolenic acid methyl ester	0.089
40.986	PHYTOL	12.965
41.270	BENZYL BENZOATE	12.126
44.082	Linolenoic acid methyl ester	0.117
49.541	PALMITIC ACID
52.795	SQUALENE	5.466

SUM

97.582

晕，一不小心采纳答案搞错了，朱老师不要见怪，不好意思

原文由 symmacros(jimzhu) 发表:

原文由 gaogao0214(hygao8410) 发表:

原文由 symmacros(jimzhu) 发表:
我大致花了几分钟看了一下，没有挑出来看，列出amdis和保留指数校正的结果，请参考：（你看后告诉我，我会随后删掉，不保留）

Time	Name	TIC%
2.906	ALCOHOL	>>0.007
8.234	HEXYL ACETATE	0.001
9.353	HEXENYL ACETATE, 3E-	0.002
9.932	METHYL HEPTENONE, 6,5,2-	0.002
11.054	HEXENOL, 3Z-	0.006
12.714	Hexadecane, 2,6,10,14-tetramethyl-	0.048
13.295	HEXENYL BUTYRATE, 3E-	0.001
15.691	LINALOOL	3.111
16.000	LINALYL ACETATE	0.048
17.858	METHYL BENZOATE	0.082
19.857	TERPINEOL, ALPHA-	0.001
20.789	BENZYL ACETATE	19.931
21.322	FARNESENE, 3E,6E-ALPHA-	1.547
22.050	METHYL SALICYLATE	0.043
23.056	PHENYLETHYL ACETATE, 2-	0.039
24.091	GERANYLPROPANONE	0.039
24.569	BENZYLALCOHOL	1.140
25.989	Neophytadien = 1-Hexadecen, 7,11,15-trimethyl-3-methylen-	0.452
26.293	JASMONE TRANS-	1.713
26.719	3,7,11,15-Tetramethyl-2-hexadecen-1-ol	0.062
27.404	Neophytadien = 1-Hexadecen, 7,11,15-trimethyl-3-methylen-?	0.155
28.660	Nerolidol, trans-	0.106
29.492	HEXYL BENZOATE	0.072
29.669	CRESOL, P-	0.140
30.195	Heneicosane	0.084
30.331	BENZYL TIGLATE	0.034
30.664	HEXENYL BENZOATE, 3Z-	1.453
30.746	PENTADECANONE, 6,10,14-TRIMETHYL-2-	0.530
31.141	HEXENYL BENZOATE, 2E-	0.040
31.599	EUGENOL	1.540
32.801	METHYL HEXADECANOATE	2.335
33.204	METHYL ANTHRANILATE	0.044
33.658	JASMINLACTONE	0.810
33.719	Jasminlactone+ethanol reaction	0.273
34.409	ISOPHYTOL	8.265
34.732	LINALOOL, 8E-HYDROXY-	0.103
34.926	Dodecanoic acid, 3,7,11-trimethyl-, methyl ester	0.072
35.292	METHYL JASMONATE	0.847
37.244	METHYL STEARATE	0.178
37.552	INDOLE	2.544
37.656	METHYL OLEATE	1.059
37.804	METHYL ELAIDINOATE	0.212
38.295	METHYL N-ACETYLANTHRANILATE	0.791
38.364	m/z 114,55,57...?	0.321
38.398	m/z 123,57,68...?	0.322
38.625	METHYL-9E,12E-OCTADECADIENOATE	0.327
39.128	PHYTOL ACETATE  E	8.052
39.487	GERANYLLINALOOL	3.756
39.982	METHYL LINOLEATE	3.927
40.264	unkown (四个双键的烯烃）	0.159
40.629	Linolenic acid methyl ester	0.089
40.986	PHYTOL	12.965
41.270	BENZYL BENZOATE	12.126
44.082	Linolenoic acid methyl ester	0.117
49.541	PALMITIC ACID
52.795	SQUALENE	5.466

SUM

97.582

晕，一不小心采纳答案搞错了，朱老师不要见怪，不好意思

那你就再悬赏一回？哈，开个玩笑。

原文由 gaogao0214(hygao8410) 发表:

原文由 symmacros(jimzhu) 发表:

原文由 gaogao0214(hygao8410) 发表:

原文由 symmacros(jimzhu) 发表:
我大致花了几分钟看了一下，没有挑出来看，列出amdis和保留指数校正的结果，请参考：（你看后告诉我，我会随后删掉，不保留）

Time	Name	TIC%
2.906	ALCOHOL	>>0.007
8.234	HEXYL ACETATE	0.001
9.353	HEXENYL ACETATE, 3E-	0.002
9.932	METHYL HEPTENONE, 6,5,2-	0.002
11.054	HEXENOL, 3Z-	0.006
12.714	Hexadecane, 2,6,10,14-tetramethyl-	0.048
13.295	HEXENYL BUTYRATE, 3E-	0.001
15.691	LINALOOL	3.111
16.000	LINALYL ACETATE	0.048
17.858	METHYL BENZOATE	0.082
19.857	TERPINEOL, ALPHA-	0.001
20.789	BENZYL ACETATE	19.931
21.322	FARNESENE, 3E,6E-ALPHA-	1.547
22.050	METHYL SALICYLATE	0.043
23.056	PHENYLETHYL ACETATE, 2-	0.039
24.091	GERANYLPROPANONE	0.039
24.569	BENZYLALCOHOL	1.140
25.989	Neophytadien = 1-Hexadecen, 7,11,15-trimethyl-3-methylen-	0.452
26.293	JASMONE TRANS-	1.713
26.719	3,7,11,15-Tetramethyl-2-hexadecen-1-ol	0.062
27.404	Neophytadien = 1-Hexadecen, 7,11,15-trimethyl-3-methylen-?	0.155
28.660	Nerolidol, trans-	0.106
29.492	HEXYL BENZOATE	0.072
29.669	CRESOL, P-	0.140
30.195	Heneicosane	0.084
30.331	BENZYL TIGLATE	0.034
30.664	HEXENYL BENZOATE, 3Z-	1.453
30.746	PENTADECANONE, 6,10,14-TRIMETHYL-2-	0.530
31.141	HEXENYL BENZOATE, 2E-	0.040
31.599	EUGENOL	1.540
32.801	METHYL HEXADECANOATE	2.335
33.204	METHYL ANTHRANILATE	0.044
33.658	JASMINLACTONE	0.810
33.719	Jasminlactone+ethanol reaction	0.273
34.409	ISOPHYTOL	8.265
34.732	LINALOOL, 8E-HYDROXY-	0.103
34.926	Dodecanoic acid, 3,7,11-trimethyl-, methyl ester	0.072
35.292	METHYL JASMONATE	0.847
37.244	METHYL STEARATE	0.178
37.552	INDOLE	2.544
37.656	METHYL OLEATE	1.059
37.804	METHYL ELAIDINOATE	0.212
38.295	METHYL N-ACETYLANTHRANILATE	0.791
38.364	m/z 114,55,57...?	0.321
38.398	m/z 123,57,68...?	0.322
38.625	METHYL-9E,12E-OCTADECADIENOATE	0.327
39.128	PHYTOL ACETATE  E	8.052
39.487	GERANYLLINALOOL	3.756
39.982	METHYL LINOLEATE	3.927
40.264	unkown (四个双键的烯烃）	0.159
40.629	Linolenic acid methyl ester	0.089
40.986	PHYTOL	12.965
41.270	BENZYL BENZOATE	12.126
44.082	Linolenoic acid methyl ester	0.117
49.541	PALMITIC ACID
52.795	SQUALENE	5.466

SUM

97.582

晕，一不小心采纳答案搞错了，朱老师不要见怪，不好意思

那你就再悬赏一回？哈，开个玩笑。

悬赏没搞错，给你分发了积分的，嘿嘿