PEAK 261 (3.231 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
0.71	p3	+	8.72	61 (8.753-8.675)		0.98	0.99	0.1		G95_26 (1)	G90_19 (1)	G85_1 (69)	G80_1 (106)		+
0.73	p73	+	4.642	165 (4.685-4.607)		0.99	0.98	0.9		G95_2 (22)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.83	p95	+	4.118	178 (4.177-4.099)		0.96	0.94	0.8		G95_7 (5)	G90_6 (6)	G85_4 (6)	G80_1 (106)		+
0.83	p96	+	4.128	179 (4.138-4.06)		0.94	0.91	0.55		G95_41 (1)	G90_6 (6)	G85_4 (6)	G80_1 (106)		+
0.82	p98	+	4.105	179 (4.138-4.06)		0.98	0.93	0.75		G95_7 (5)	G90_6 (6)	G85_4 (6)	G80_1 (106)		+
0.83	p99	+	4.094	179 (4.138-4.06)		0.97	0.83	0.5		G95_7 (5)	G90_6 (6)	G85_4 (6)	G80_1 (106)		+
0.73	p121	+	3.913	184 (3.942-3.864)		0.93	0.97	0.75		G95_2 (22)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.76	p126	+	3.893	185 (3.903-3.825)		0.97	0.96	0.8		G95_2 (22)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.71	p133	+	3.836	185 (3.903-3.825)		0.95	0.96	0.85		G95_2 (22)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.84	p147	+	3.773	187 (3.825-3.747)		0.85	0.72	0.9		G95_57 (1)	G90_43 (1)	G85_3 (19)	G80_1 (106)		+
0.76	p162	+	3.739	189 (3.747-3.669)		0.9	0.86	0.75		G95_2 (22)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.75	p163	+	3.73	189 (3.747-3.669)		0.95	0.89	0.85		G95_2 (22)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.77	p165	+	3.709	189 (3.747-3.669)		0.87	0.69	0.8		G95_2 (22)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.77	p166	+	3.701	189 (3.747-3.669)		0.82	0.61	0.7		G95_2 (22)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.71	p208	+	3.547	194 (3.551-3.473)		0.95	0.95	0.9		G95_75 (0)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.76	p209	+	3.54	194 (3.551-3.473)		0.95	0.96	0.75		G95_2 (22)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.79	p210	+	3.531	194 (3.551-3.473)		0.96	0.93	0.8		G95_2 (22)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.77	p211	+	3.524	194 (3.551-3.473)		0.92	0.9	0.7		G95_2 (22)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.71	p213	+	3.506	194 (3.551-3.473)		0.97	0.96	0.75		G95_2 (22)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.73	p214	+	3.491	194 (3.551-3.473)		0.98	0.99	0.9		G95_2 (22)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.72	p215	+	3.481	194 (3.551-3.473)		0.92	0.88	0.15		G95_76 (0)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.74	p223	+	3.454	195 (3.512-3.434)		0.81	0.98	0.45		G95_2 (22)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.7	p234	+	3.396	197 (3.434-3.356)		0.56	0.94	0.35		G95_2 (22)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.72	p237	+	3.387	198 (3.395-3.317)		0.96	0.96	0.7		G95_2 (22)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.75	p241	+	3.331	198 (3.395-3.317)		0.94	0.94	0.45		G95_3 (15)	G90_3 (19)	G85_3 (19)	G80_1 (106)		+
0.75	p245	+	3.307	199 (3.356-3.278)		0.86	0.91	0.6		G95_3 (15)	G90_3 (19)	G85_3 (19)	G80_1 (106)		+
0.81	p256	+	3.234	201 (3.277-3.199)		0.94	0.95	0.55		G95_83 (0)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.75	p283	+	2.976	207 (3.043-2.965)		0.71	0.87	0.4		G95_91 (0)	G90_3 (19)	G85_3 (19)	G80_1 (106)		+
0.73	p292	+	2.958	209 (2.964-2.886)		0.89	0.95	0.45		G95_3 (15)	G90_3 (19)	G85_3 (19)	G80_1 (106)		+
0.8	p309	+	2.581	218 (2.612-2.534)		0.9	0.92	0.4		G95_3 (15)	G90_3 (19)	G85_3 (19)	G80_1 (106)		+
0.82	p313	+	2.567	219 (2.573-2.495)		0.95	0.97	0.65		G95_3 (15)	G90_3 (19)	G85_3 (19)	G80_1 (106)		+
0.78	p315	+	2.555	219 (2.573-2.495)		0.94	0.96	0.65		G95_3 (15)	G90_3 (19)	G85_3 (19)	G80_1 (106)		+
0.71	p316	+	2.537	219 (2.573-2.495)		0.96	0.97	0.6		G95_3 (15)	G90_3 (19)	G85_3 (19)	G80_1 (106)		+
0.71	p318	+	2.512	219 (2.573-2.495)		0.93	0.87	0.2		G95_3 (15)	G90_3 (19)	G85_3 (19)	G80_1 (106)		+
0.73	p319	+	2.524	220 (2.534-2.456)		0.96	0.94	0.45		G95_3 (15)	G90_3 (19)	G85_3 (19)	G80_1 (106)		+
0.82	p329	+	2.427	222 (2.456-2.378)		0.89	0.87	0.2		G95_95 (0)	G90_68 (0)	G85_1 (69)	G80_1 (106)		+
0.77	p341	+	2.187	228 (2.221-2.143)		0.9	0.91	0.55		G95_3 (15)	G90_3 (19)	G85_3 (19)	G80_1 (106)		+
0.8	p344	+	2.175	229 (2.182-2.104)		0.97	0.96	0.8		G95_3 (15)	G90_3 (19)	G85_3 (19)	G80_1 (106)		+
0.8	p345	+	2.163	229 (2.182-2.104)		0.93	0.95	0.75		G95_3 (15)	G90_3 (19)	G85_3 (19)	G80_1 (106)		+
0.71	p360	+	2.054	232 (2.065-1.987)		0.75	0.84	0.3		G95_106 (0)	G90_75 (0)	G85_1 (69)	G80_1 (106)		+
0.75	p371	+	1.489	245 (1.556-1.478)		0.98	0.97	0.9		G95_23 (2)	G90_16 (2)	G85_14 (1)	G80_1 (106)		+
0.76	p373	+	1.477	246 (1.517-1.439)		0.98	0.97	0.9		G95_23 (2)	G90_16 (2)	G85_14 (1)	G80_1 (106)		+
0.84	p376	+	1.336	250 (1.361-1.283)		0.98	0.89	0.95		G95_7 (5)	G90_6 (6)	G85_4 (6)	G80_1 (106)		+
0.85	p377	+	1.325	250 (1.361-1.283)		0.98	0.82	0.95		G95_7 (5)	G90_6 (6)	G85_4 (6)	G80_1 (106)		+

IDENTIFICATION ANALYSIS

METABOLITE	TYPE		IC:MATCHING	IC:TOTAL	EC:MATCHING	EC:TOTAL	OTHERS		X	Y	Z		SCORE	FIG
Carnitine-7.0 (c:3/p:1)	M		1	1	1	4	0		0.99	0.85	1.0		0.94
Choline-7.0 (c:3/p:1)	M		1	1	1	3	0		0.63	0.89	1.0		0.84
glucose-7.0 (c:5/p:2)	M		1	3	1	5	0		0.43	0.15	1.0		0.53
glucose-7.0 (c:5/p:3)	M		1	3	1	5	0		0.17	0.15	1.0		0.44
histidine-7.0 (c:4/p:5)	M		1	8	1	4	0		0.4	0.2	1.0		0.53
histidine-7.0 (c:4/p:6)	M		1	8	1	4	0		0.37	0.2	1.0		0.52
histidine-7.0 (c:4/p:7)	M		1	8	1	4	0		-0.16	0.2	1.0		0.35
histidine-7.0 (c:4/p:8)	M		1	8	1	4	0		-0.17	0.2	1.0		0.34
taurine-7.0 (c:2/p:4)	M		1	4	1	2	0		0.06	0.48	1.0		0.51
tyrosine-7.0 (c:4/p:1)	M		1	4	1	5	0		0.04	0.1	1.0		0.38
tyrosine-7.0 (c:4/p:2)	M		1	4	1	5	0		0.05	0.1	1.0		0.38