Milk Composition Database: 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) (BMDB0007978)

Spectrum Details

BMDB ID:	BMDB0007978
Compound name:	PC(16:0/20:1(11Z))
Spectrum type:	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)

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MMDBc0033770

Multiplets	❮ ❯ 5.34 5.13 4.35 4.12 3.80 3.61 3.23 2.33 2.31 2.02 2.02 1.53 1.40 1.31 1.30 1.30 1.30 1.27 1.27 1.27 1.27 1.27 1.27 1.27 1.26 1.26 1.26 1.26 1.25 1.25 0.89 0.89

Assignment Table
Row No.	Cluster Midpoint	No. Peaks	Coupling Type	No. H's	Atom No.		Peak Centers (ppm)
1	5.34	16	dt	2	72 73	+	5.265.275.285.305.315.325.325.335.345.355.365.365.385.385.415.42
2	5.13	10	m	1	92	+	5.075.095.095.115.125.145.155.175.175.19
3	4.35	2	d	2	93 94	+	4.344.36
4	4.12	9	dt	2	128 129	+	4.074.074.104.114.134.144.144.174.17
5	3.80	4	dd	2	126 127	+	3.773.803.803.83
6	3.61	16	td	2	130 131	+	3.573.573.623.633.653.573.573.593.593.603.603.623.623.633.633.65
7	3.23	1	s	9	132 133 134 135 136 137 138 139 140	+	3.23
8	2.33	4	t	2	95 96	+	2.352.292.322.35
9	2.31	3	t	2	90 91	+	2.282.312.34
10	2.02	31	dt	2	70 71	+	1.911.951.951.911.921.941.951.961.971.981.981.992.002.012.012.022.022.032.042.052.052.062.072.072.072.082.092.112.122.132.14
11	2.02	32	dt	2	74 75	+	1.911.951.951.971.911.921.941.951.961.971.981.981.992.002.012.012.022.022.032.042.052.052.062.072.072.072.082.092.112.122.132.14
12	1.53	27	tt	2	97 98	+	1.451.461.471.471.501.511.521.541.551.571.641.641.431.441.451.491.491.501.521.541.541.571.571.601.611.641.64
13	1.40	31	tt	2	88 89	+	1.291.321.331.341.341.351.361.361.371.381.391.401.411.501.321.351.351.351.351.381.391.401.401.431.431.461.471.491.501.531.53
14	1.31	46	tt	2	68 69	+	1.211.261.261.271.271.281.291.291.301.311.321.321.341.341.361.371.381.391.221.231.241.241.251.251.261.271.281.281.291.291.291.301.301.311.321.321.331.341.341.361.371.381.391.391.401.42
15	1.30	47	tt	2	76 77	+	1.211.231.231.241.251.261.271.271.271.281.291.311.311.321.321.331.341.361.381.211.221.231.251.251.251.261.271.271.281.291.291.291.301.301.311.321.321.331.341.341.361.371.381.391.391.401.42
16	1.30	68	m	2	78 79	+	1.191.201.211.221.231.241.241.251.251.251.261.261.271.281.291.291.291.301.311.321.321.331.341.351.351.361.361.371.381.391.391.391.401.191.201.211.221.231.231.231.241.251.251.261.261.271.281.281.291.291.291.301.301.301.311.321.321.331.341.351.351.361.361.381.391.391.391.40
17	1.30	56	m	2	66 67	+	1.201.221.221.231.241.241.241.251.251.261.291.301.321.331.341.351.361.361.371.381.401.201.211.211.231.231.241.241.241.251.261.261.271.271.271.281.281.291.291.301.301.301.311.321.321.331.341.351.351.361.361.381.391.391.401.40
18	1.27	69	m	2	64 65	+	1.151.171.171.191.201.221.221.231.231.241.251.251.261.271.271.271.281.291.301.311.311.321.321.331.331.341.341.351.351.351.361.371.151.171.181.181.191.191.201.211.211.221.221.231.241.251.251.261.261.271.271.271.281.281.291.301.301.301.311.321.321.331.331.341.351.361.361.371.38
19	1.27	47	m	2	62 63	+	1.161.181.211.221.241.251.271.271.281.291.291.301.321.321.331.341.351.161.171.171.181.201.211.211.221.231.231.251.251.261.261.261.271.271.281.281.291.301.311.311.321.321.331.341.341.351.35
20	1.27	65	m	2	117 118	+	1.191.211.211.221.231.241.241.251.251.261.261.261.271.281.281.291.301.301.311.311.321.321.331.341.341.351.361.371.141.161.171.171.181.181.191.201.201.211.211.221.221.231.241.241.251.251.261.261.261.271.281.281.291.301.301.301.311.311.321.321.331.341.351.351.35
21	1.27	107	m	4	84 85 86 87	+	1.181.191.211.211.231.241.261.271.271.281.281.281.291.291.301.301.321.331.341.351.371.181.191.201.211.211.231.241.251.261.261.271.271.281.281.291.291.301.301.311.321.331.331.351.361.371.161.171.171.181.181.191.191.201.211.211.211.221.221.231.241.241.251.261.261.271.281.291.301.301.311.321.321.321.321.331.341.361.171.181.191.211.211.221.221.231.231.241.241.251.251.261.271.271.281.281.291.301.301.311.321.321.321.331.341.361.36
22	1.27	69	m	2	121 122	+	1.101.121.161.181.181.191.211.221.221.231.231.241.241.251.251.261.261.261.271.271.271.281.281.291.301.301.311.321.331.331.341.341.361.371.161.181.191.201.211.221.221.221.231.231.241.241.251.251.261.261.261.271.281.281.291.301.301.311.311.311.321.331.331.331.341.351.361.371.38
23	1.27	121	m	4	80 81 82 83	+	1.171.181.181.201.201.211.211.221.221.231.231.241.241.261.271.271.281.281.281.291.291.301.301.311.311.321.321.331.341.341.351.361.361.371.171.171.191.201.201.211.211.211.221.221.231.241.251.251.261.261.281.281.291.301.311.311.321.331.331.341.341.351.361.161.171.171.181.181.211.221.241.251.251.251.261.271.271.271.281.291.301.301.311.331.331.341.351.361.371.371.171.171.171.181.191.201.211.211.211.221.231.241.241.251.261.261.271.271.281.281.291.291.301.301.301.311.321.331.341.351.36
24	1.27	63	m	2	58 59	+	1.101.121.161.181.191.201.211.221.221.231.231.241.251.261.261.271.271.271.281.281.291.301.301.311.311.321.331.331.341.361.161.181.191.211.211.221.221.231.241.241.241.251.251.261.261.271.281.281.291.291.301.301.311.311.311.321.331.331.341.351.361.371.38
25	1.26	58	tt	2	60 61	+	1.171.171.181.191.201.211.211.221.221.221.231.241.251.251.271.271.281.291.291.301.301.311.311.321.331.331.351.361.171.181.191.201.211.211.221.221.231.241.241.251.251.261.261.271.271.271.281.291.291.301.301.311.321.321.331.331.361.36
26	1.26	101	m	4	99 100 101 102	+	1.131.141.161.161.171.181.191.191.201.211.221.231.231.231.241.241.251.251.261.261.281.291.301.321.331.161.171.191.201.211.211.211.221.231.231.241.241.251.251.261.261.281.301.311.321.321.331.331.341.361.361.361.191.201.211.211.221.241.251.251.261.261.271.281.291.301.301.311.321.331.341.351.361.371.181.191.201.211.211.221.231.241.241.251.261.261.271.281.291.291.301.301.311.321.321.331.341.351.351.361.37
27	1.26	55	tt	2	119 120	+	1.161.181.181.191.191.201.211.211.221.221.221.231.241.251.251.261.271.271.281.291.291.301.301.311.311.321.331.351.171.181.201.211.211.211.221.221.231.241.241.251.251.261.261.271.271.281.301.301.321.321.331.331.341.361.36
28	1.26	213	m	10	105 106 107 108 109 110 111 112 113 114	+	1.161.191.201.211.211.221.221.231.231.241.261.271.281.281.291.301.311.321.161.171.181.191.191.201.201.211.211.221.221.241.241.261.271.301.311.311.321.351.351.171.181.201.211.211.221.241.241.251.251.281.281.291.291.301.301.341.351.181.181.191.211.221.231.231.241.271.271.271.301.311.331.341.351.181.191.211.221.241.251.281.281.291.301.311.341.221.231.241.251.251.271.271.281.281.301.301.311.311.341.341.171.181.181.201.211.221.231.231.231.241.241.251.251.251.271.271.281.291.291.301.301.301.311.321.331.331.341.351.171.181.191.201.211.211.221.231.231.241.251.251.251.261.271.271.281.291.291.301.301.311.311.321.321.331.341.351.351.141.151.151.161.171.181.181.191.201.201.211.211.231.231.241.241.251.251.271.271.271.281.291.291.301.311.311.341.151.161.171.191.191.201.211.211.231.241.241.241.251.251.261.271.271.281.291.291.301.311.311.321.331.341.351.35
29	1.25	53	m	2	115 116	+	1.171.181.191.201.211.211.231.241.251.261.261.271.271.281.281.291.311.311.321.321.321.331.361.151.161.161.171.191.201.211.211.211.221.221.231.231.241.241.251.251.251.271.271.271.281.291.301.311.311.331.331.341.34
30	1.25	60	m	2	103 104	+	1.141.141.181.181.181.191.201.211.221.221.231.241.241.251.261.271.281.281.291.301.301.301.311.321.331.341.351.371.141.141.141.151.161.171.181.181.191.201.211.221.231.241.251.251.261.261.271.271.281.291.291.291.301.301.311.321.331.331.341.36
31	0.89	59	t	3	123 124 125	+	0.800.820.840.850.870.890.900.900.910.910.910.910.930.950.950.970.800.810.840.840.850.850.860.870.870.880.900.900.910.910.910.910.920.950.950.960.970.970.780.810.810.840.840.850.850.860.860.870.870.880.900.900.910.910.920.950.960.970.98
32	0.89	59	t	3	55 56 57	+	0.800.820.840.850.870.890.900.900.910.910.910.910.930.950.950.970.800.810.840.840.850.850.860.870.870.880.900.900.910.910.910.910.920.950.950.960.970.970.780.810.810.840.840.850.850.860.860.870.870.880.900.900.910.910.920.950.960.970.98

Experimental Conditions

Solvent:	H₂O
Nucleus:	¹H
Frequency:	200 MHz

Documentation

Document Description	Download	File Size
Peak List (TXT)	Download file	103 KB
Peak Assignments (TXT)	Download file	2.36 KB
Spectra Image with Peak Assignments	Not Available	Not Available
Raw Spectrum Image	Not Available	Not Available
nmrML File (NMRML)	Download file	701 KB
JCAMP-DX File (JDX)	Download file	281 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, 200 MHz, H₂O, predicted) (BMDB0007978)

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