Human Metabolome Database: 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) (HMDB0009782)

Spectrum Details

HMDB ID:	HMDB0009782
Compound name:	PI(16:0/18:1(11Z))
Spectrum type:	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)

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MMDBc0047149

Multiplets	❮ ❯ 5.34 5.13 4.83 4.35 4.16 3.81 3.81 3.76 3.76 3.63 2.32 2.31 2.02 2.02 1.55 1.43 1.33 1.33 1.31 1.30 1.29 1.27 1.27 1.27 1.27 1.26 1.26 1.26 1.26 1.26 1.25 0.88 0.88

Assignment Table
Row No.	Cluster Midpoint	No. Peaks	Coupling Type	No. H's	Atom No.		Peak Centers (ppm)
1	5.34	16	dt	2	71 72	+	5.295.295.305.315.325.335.335.335.345.355.355.365.365.375.395.39
2	5.13	10	m	1	91	+	5.095.105.115.125.125.145.145.155.165.17
3	4.83	31	ddd	1	128	+	4.744.744.744.754.774.774.784.784.794.804.804.814.814.814.824.834.844.844.844.854.864.874.874.874.884.884.884.894.894.894.92
4	4.35	2	d	2	92 93	+	4.344.36
5	4.16	4	dd	2	125 126	+	4.144.164.164.18
6	3.81	13	dd	1	135	+	3.783.783.793.793.793.803.803.823.823.823.833.833.84
7	3.81	13	dd	1	131	+	3.783.783.793.793.793.803.803.823.823.823.833.833.83
8	3.76	14	ddd	1	129	+	3.733.743.743.753.753.763.773.773.773.783.793.793.793.80
9	3.76	15	ddd	1	137	+	3.723.733.743.753.753.753.753.763.773.773.783.793.793.793.80
10	3.63	22	dd	1	133	+	3.583.583.583.593.593.623.623.623.633.633.633.633.643.643.643.663.663.673.673.683.683.68
11	2.32	3	t	2	94 95	+	2.302.322.34
12	2.31	3	t	2	89 90	+	2.292.312.33
13	2.02	23	dt	2	73 74	+	1.951.951.961.961.971.991.992.002.002.012.012.022.032.032.032.042.052.052.052.072.082.082.10
14	2.02	21	dt	2	69 70	+	1.951.961.961.971.991.991.992.002.002.012.012.022.032.032.042.042.052.052.072.082.08
15	1.55	17	tt	2	96 97	+	1.491.501.511.531.551.571.591.611.491.511.531.551.551.571.571.591.61
16	1.43	25	tt	2	87 88	+	1.371.381.391.391.401.411.431.431.441.451.371.381.391.391.401.421.421.441.441.461.461.481.481.501.51
17	1.33	64	tt	2	67 68	+	1.251.261.271.281.291.291.301.301.301.311.311.311.311.321.331.331.341.351.351.351.361.361.371.371.371.381.391.401.401.411.411.431.251.261.261.271.271.281.291.291.301.301.301.311.311.311.321.321.321.331.331.341.341.351.351.351.351.361.361.371.371.381.391.40
18	1.33	78	m	2	65 66	+	1.241.251.261.261.271.281.291.291.301.301.301.311.311.321.321.321.331.331.331.341.341.351.351.361.361.371.381.381.381.381.381.391.391.411.411.241.241.251.261.261.261.271.271.271.281.281.291.301.301.311.311.311.311.321.321.321.331.331.331.341.341.351.351.351.361.361.361.371.381.381.381.381.381.391.391.401.411.41
19	1.31	45	tt	2	75 76	+	1.251.261.261.271.271.281.281.291.291.301.301.301.311.321.331.361.371.251.251.251.261.271.271.281.281.291.291.301.301.301.311.311.321.321.321.331.331.341.351.351.361.361.371.371.38
20	1.30	66	tt	2	63 64	+	1.221.251.251.261.261.271.271.281.281.281.281.291.291.301.301.301.311.311.321.331.331.331.341.341.341.361.371.371.381.381.221.221.231.241.241.251.251.261.261.261.271.271.271.281.281.281.291.291.301.301.301.311.311.311.321.321.331.331.331.331.341.341.351.351.351.37
21	1.29	59	m	2	77 78	+	1.201.211.211.221.231.231.241.251.251.261.261.261.271.271.271.271.281.291.291.301.301.321.321.331.331.351.211.231.231.241.241.251.261.261.271.271.271.281.281.291.291.291.301.301.301.311.311.321.321.331.331.341.341.341.351.351.361.361.37
22	1.27	59	m	2	61 62	+	1.211.221.221.231.241.251.251.261.261.261.271.281.291.301.311.321.321.191.211.211.211.221.221.231.231.231.241.241.251.251.251.261.261.261.271.271.271.281.281.291.291.291.291.301.301.301.301.311.311.311.321.321.321.331.331.331.331.341.35
23	1.27	122	m	4	79 80 81 82	+	1.201.201.201.201.211.211.221.221.231.231.231.241.251.251.261.271.271.281.281.281.291.291.301.301.301.311.311.321.321.321.321.331.201.201.211.221.221.231.231.231.241.241.251.251.261.271.271.271.281.281.281.291.291.301.301.301.311.311.311.321.331.191.201.221.231.231.241.241.251.251.251.271.271.281.281.291.291.301.301.301.301.301.311.311.321.321.331.331.341.351.201.201.211.211.221.221.231.241.251.251.251.251.261.271.271.271.281.281.281.291.291.291.301.301.311.311.321.321.321.331.331.34
24	1.27	63	m	2	120 121	+	1.191.211.231.231.241.241.241.251.251.251.261.261.271.271.271.271.281.281.281.281.291.291.291.301.301.311.321.331.191.211.211.211.231.231.231.241.241.241.251.251.251.261.261.271.271.281.281.281.281.291.291.291.301.301.301.311.311.321.321.331.331.331.35
25	1.27	98	m	4	83 84 85 86	+	1.201.231.231.251.261.261.271.281.281.281.291.291.301.301.311.311.211.221.221.231.231.231.241.251.251.251.261.261.261.271.271.281.281.291.291.301.301.311.311.321.331.331.341.201.211.211.221.231.231.241.241.241.251.251.251.251.261.261.261.271.281.281.281.291.301.311.311.311.311.331.331.201.211.221.221.231.231.231.241.251.251.261.261.261.271.271.281.281.291.291.301.301.311.311.321.331.331.33
26	1.26	56	tt	2	118 119	+	1.201.211.211.221.231.231.241.241.241.251.251.261.271.271.281.281.291.291.291.301.301.311.331.201.211.211.221.231.231.231.241.241.241.251.251.251.261.261.271.271.271.281.281.281.291.291.291.301.301.301.311.311.321.331.331.33
27	1.26	102	m	4	98 99 100 101	+	1.171.171.191.191.201.211.211.221.221.231.231.231.241.241.251.251.251.261.261.261.261.261.281.291.291.291.301.311.181.191.201.211.211.221.221.231.231.231.241.251.251.261.261.261.281.281.291.301.311.311.311.321.331.331.231.231.231.241.251.251.251.261.261.261.271.271.281.281.291.301.311.311.311.321.331.341.211.221.221.231.231.241.241.251.251.251.261.261.261.271.281.281.281.281.291.301.311.311.321.331.331.34
28	1.26	65	m	2	116 117	+	1.181.191.201.201.211.211.221.221.221.231.231.231.241.241.251.251.251.261.271.271.271.271.281.281.281.281.291.291.291.301.301.311.311.321.331.331.201.201.211.211.211.221.221.231.231.241.241.251.251.261.261.271.271.271.281.281.281.291.301.301.301.311.311.321.32
29	1.26	225	m	10	104 105 106 107 108 109 110 111 112 113	+	1.191.201.201.211.211.221.231.231.231.241.251.251.271.281.291.291.311.311.321.321.201.211.211.221.231.231.231.241.241.251.251.261.261.271.281.291.291.301.301.311.321.201.211.231.241.241.251.271.291.311.311.321.211.221.221.231.231.241.241.251.251.251.271.281.291.291.291.311.321.321.201.201.211.221.231.231.231.241.241.251.251.261.261.271.271.281.281.281.291.291.291.311.311.321.321.211.231.231.231.241.241.241.251.251.251.261.261.271.281.291.291.311.211.221.221.231.241.251.261.271.271.281.291.291.301.311.311.311.321.321.201.201.201.211.221.221.231.231.241.241.241.251.251.251.251.251.271.271.271.271.281.281.291.291.291.301.301.301.311.321.321.181.181.181.181.191.201.201.201.201.211.211.211.221.221.231.231.231.241.241.241.251.251.251.271.271.281.291.291.291.301.321.181.191.191.211.211.211.221.221.221.231.231.231.241.251.251.251.261.261.261.271.271.271.281.281.281.291.291.301.301.311.321.321.32
30	1.26	60	m	2	114 115	+	1.191.191.201.211.211.221.221.231.231.241.241.241.251.251.261.261.271.271.281.281.291.291.301.301.311.311.321.321.191.191.191.201.211.221.221.221.231.231.241.241.241.251.251.261.261.261.271.271.271.281.281.281.281.291.291.301.301.301.311.32
31	1.25	61	m	2	102 103	+	1.201.211.221.231.231.241.241.251.251.261.261.261.271.281.281.291.291.301.301.301.311.311.321.321.331.171.171.171.181.191.191.201.201.211.221.221.231.231.231.241.241.241.251.251.251.261.261.261.261.271.271.281.281.281.281.291.291.301.301.301.32
32	0.88	40	t	3	58 59 60	+	0.810.860.860.870.880.890.890.900.900.900.910.930.820.820.850.860.880.880.900.900.910.930.930.940.950.830.840.860.860.860.870.870.870.880.890.900.900.900.930.93
33	0.88	40	t	3	122 123 124	+	0.850.860.860.880.880.890.900.900.900.900.830.850.860.860.880.890.900.930.940.810.830.840.840.860.860.860.870.870.870.880.880.880.890.900.900.900.920.920.930.95

Experimental Conditions

Solvent:	H₂O
Nucleus:	¹H
Frequency:	300 MHz

Documentation

Document Description	Download	File Size
Peak List (TXT)	Download file	100 KB
Peak Assignments (TXT)	Download file	2.31 KB
Spectra Image with Peak Assignments	Not Available	Not Available
Raw Spectrum Image	Not Available	Not Available
nmrML File (NMRML)	Download file	695 KB
JCAMP-DX File (JDX)	Download file	277 KB
Raw Free Induction Decay file for spectral processing	Not Available	Not Available
Validation Report	Not Available	Not Available

References

Not Available

¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted) (HMDB0009782)

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