PEAK 25 (7.34 ppm) DETAILS

GENERAL INFORMATION

PEAK DETECTION

WINDOW ALIGNMENT

INTENSITY DISTRIBUTION

CORRELATION ANALYSIS

CORRCOEF	ID_PEAK	INFO	PPM	ID_WINDOW		QC_SC	QC_IvsA	QC_IP		G_95	G_90	G_85	G_80		INFO
0.8	p15	+	8.191	74 (8.245-8.167)		0.94	0.96	0.2		G95_29 (1)	G90_22 (1)	G85_1 (69)	G80_1 (106)		+
0.99	p22	+	7.432	94 (7.462-7.384)		0.99	0.97	0.25		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.99	p23	+	7.42	94 (7.462-7.384)		0.98	0.95	0.15		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.99	p26	+	7.327	96 (7.384-7.306)		0.98	0.9	0.15		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.96	p30	+	7.205	100 (7.228-7.15)		0.98	0.93	0.35		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.96	p31	+	7.191	100 (7.228-7.15)		0.98	0.93	0.4		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.85	p32	+	7.06	103 (7.11-7.032)		0.91	0.93	0.15		G95_30 (1)	G90_23 (1)	G85_1 (69)	G80_1 (106)		+
0.96	p34	+	6.909	107 (6.954-6.876)		0.98	0.95	0.3		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.95	p35	+	6.895	107 (6.954-6.876)		0.98	0.93	0.3		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.76	p38	+	6.521	117 (6.563-6.485)		0.95	0.92	0.1		G95_31 (1)	G90_24 (1)	G85_19 (1)	G80_14 (1)		+
0.89	p89	+	4.256	175 (4.294-4.216)		0.59	0.5	0.1		G95_39 (1)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.73	p111	+	3.974	183 (3.981-3.903)		0.47	0.31	0.55		G95_44 (1)	G90_34 (1)	G85_24 (1)	G80_1 (106)		+
0.78	p113	+	3.951	183 (3.981-3.903)		0.53	0.29	0.6		G95_45 (1)	G90_35 (1)	G85_25 (1)	G80_1 (106)		+
0.73	p269	+	3.145	204 (3.16-3.082)		0.4	0.62	0.1		G95_89 (0)	G90_65 (0)	G85_42 (0)	G80_1 (106)		+
0.83	p270	+	3.134	204 (3.16-3.082)		0.49	0.66	0.25		G95_90 (0)	G90_66 (0)	G85_1 (69)	G80_1 (106)		+
0.9	p273	+	3.069	206 (3.082-3.004)		0.75	0.74	0.25		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.93	p274	+	3.057	206 (3.082-3.004)		0.76	0.81	0.5		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.95	p276	+	3.029	206 (3.082-3.004)		0.98	0.88	0.6		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.94	p277	+	3.016	206 (3.082-3.004)		0.96	0.81	0.55		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.73	p297	+	2.859	211 (2.886-2.808)		0.23	0.25	0.0		G95_18 (2)	G90_15 (2)	G85_13 (1)	G80_8 (1)		+
0.84	p298	+	2.83	211 (2.886-2.808)		0.72	0.67	0.15		G95_94 (0)	G90_10 (3)	G85_1 (69)	G80_1 (106)		+
0.84	p300	+	2.801	212 (2.847-2.769)		0.86	0.74	0.25		G95_19 (2)	G90_10 (3)	G85_1 (69)	G80_1 (106)		+
0.84	p303	+	2.68	216 (2.691-2.613)		0.86	0.86	0.2		G95_19 (2)	G90_10 (3)	G85_1 (69)	G80_1 (106)		+
0.87	p304	+	2.648	216 (2.691-2.613)		0.95	0.9	0.5		G95_20 (2)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.81	p305	+	2.635	216 (2.691-2.613)		0.94	0.83	0.3		G95_20 (2)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.77	p350	+	2.14	230 (2.143-2.065)		0.54	0.56	0.7		G95_101 (0)	G90_71 (0)	G85_45 (0)	G80_31 (0)		+
0.95	p363	+	1.754	239 (1.791-1.713)		0.91	0.72	0.3		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.95	p366	+	1.742	240 (1.752-1.674)		0.92	0.77	0.3		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.96	p367	+	1.728	240 (1.752-1.674)		0.95	0.8	0.4		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.96	p368	+	1.716	240 (1.752-1.674)		0.95	0.8	0.5		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.98	p370	+	1.705	241 (1.713-1.635)		0.94	0.72	0.35		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.95	p384	+	1.053	257 (1.087-1.009)		0.96	0.83	0.7		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.94	p385	+	1.041	257 (1.087-1.009)		0.96	0.82	0.7		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.95	p386	+	1.022	257 (1.087-1.009)		0.97	0.67	0.55		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.92	p389	+	1.01	258 (1.048-0.97)		0.96	0.69	0.5		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.97	p392	+	0.978	258 (1.048-0.97)		0.98	0.83	0.75		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.95	p393	+	1.0	259 (1.009-0.931)		0.95	0.78	0.7		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.95	p394	+	0.989	259 (1.009-0.931)		0.93	0.74	0.7		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.97	p396	+	0.966	259 (1.009-0.931)		0.98	0.89	0.85		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.97	p397	+	0.956	259 (1.009-0.931)		0.98	0.82	0.75		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.94	p398	+	0.945	259 (1.009-0.931)		0.96	0.65	0.55		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+
0.91	p402	+	0.932	260 (0.97-0.892)		0.68	0.49	0.2		G95_1 (27)	G90_2 (29)	G85_1 (69)	G80_1 (106)		+

IDENTIFICATION ANALYSIS

METABOLITE	TYPE		IC:MATCHING	IC:TOTAL	EC:MATCHING	EC:TOTAL	OTHERS		X	Y	Z		SCORE	FIG
phenylalanine-7.0 (c:1/p:6)	M		1	8	1	4	2		-0.42	0.44	0.9		0.31
phenylalanine-7.0 (c:1/p:7)	M		4	8	1	4	0		0.92	0.44	1.0		0.78	+
phenylalanine-7.0 (c:1/p:8)	M		2	8	1	4	2		0.37	0.44	0.9		0.57	+