PEAK 103 (3.995 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
0.9	p56	+	5.421	145 (5.468-5.39)		0.23	0.97	0.05		G95_4 (8)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.9	p58	+	5.404	145 (5.468-5.39)		0.06	0.97	0.0		G95_4 (8)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.86	p60	+	5.409	146 (5.429-5.351)		0.2	0.88	0.0		G95_4 (8)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.72	p62	+	5.231	150 (5.272-5.194)		0.98	0.99	0.8		G95_2 (22)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.92	p71	+	4.667	165 (4.685-4.607)		0.58	0.99	0.0		G95_4 (8)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.92	p106	+	3.98	182 (4.02-3.943)		0.59	0.88	0.6		G95_12 (2)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.96	p112	+	3.961	183 (3.981-3.903)		0.62	0.92	0.6		G95_4 (8)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.83	p116	+	3.924	183 (3.981-3.903)		0.81	0.89	0.4		G95_47 (1)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.91	p128	+	3.871	185 (3.903-3.825)		0.26	0.92	0.1		G95_4 (8)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.95	p129	+	3.866	185 (3.903-3.825)		0.03	0.94	0.05		G95_4 (8)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.84	p132	+	3.845	185 (3.903-3.825)		0.29	0.86	0.25		G95_49 (1)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.73	p134	+	3.855	186 (3.864-3.786)		0.9	0.91	0.8		G95_50 (1)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.9	p135	+	3.85	186 (3.864-3.786)		0.91	0.96	0.7		G95_51 (1)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.84	p154	+	3.76	188 (3.786-3.708)		0.3	0.96	0.65		G95_61 (1)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.72	p168	+	3.69	189 (3.747-3.669)		0.78	0.44	0.05		G95_14 (2)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.8	p169	+	3.683	189 (3.747-3.669)		0.64	0.48	0.35		G95_4 (8)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.89	p170	+	3.676	189 (3.747-3.669)		0.73	0.59	0.55		G95_65 (1)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.85	p172	+	3.695	190 (3.708-3.63)		0.48	0.61	0.05		G95_4 (8)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.74	p177	+	3.66	190 (3.708-3.63)		0.89	0.67	0.8		G95_66 (1)	G90_49 (1)	G85_5 (6)	G80_1 (106)		+
0.7	p178	+	3.654	190 (3.708-3.63)		0.75	0.72	0.05		G95_14 (2)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.88	p187	+	3.625	191 (3.668-3.591)		0.61	0.69	0.25		G95_4 (8)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.94	p189	+	3.609	191 (3.668-3.591)		0.34	0.78	0.4		G95_12 (2)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.93	p190	+	3.6	191 (3.668-3.591)		0.56	0.93	0.05		G95_4 (8)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.84	p192	+	3.615	192 (3.629-3.551)		0.76	0.74	0.45		G95_69 (1)	G90_51 (0)	G85_2 (39)	G80_1 (106)		+
0.94	p195	+	3.589	192 (3.629-3.551)		0.34	0.81	0.4		G95_70 (1)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+
0.77	p200	+	3.579	193 (3.59-3.512)		0.77	0.78	0.15		G95_74 (0)	G90_53 (0)	G85_35 (0)	G80_24 (0)		+
0.9	p249	+	3.281	200 (3.316-3.238)		0.7	0.81	0.45		G95_4 (8)	G90_1 (36)	G85_2 (39)	G80_1 (106)		+

IDENTIFICATION ANALYSIS

METABOLITE	TYPE		IC:MATCHING	IC:TOTAL	EC:MATCHING	EC:TOTAL	OTHERS		X	Y	Z		SCORE	FIG
ascorbate-7.0 (c:2/p:2)	M		2	3	1	3	0		0.45	0.19	1.0		0.54	+
ascorbate-7.0 (c:2/p:3)	M		1	3	1	3	0		0.07	0.19	1.0		0.42
histidine-7.0 (c:3/p:2)	M		1	3	1	4	0		0.47	0.21	1.0		0.56
histidine-7.0 (c:3/p:3)	M		1	3	1	4	0		0.3	0.21	1.0		0.5
phenylalanine-7.0 (c:2/p:1)	M		2	3	1	4	0		0.58	0.22	1.0		0.6	+
phenylalanine-7.0 (c:2/p:2)	M		1	3	1	4	0		0.45	0.22	1.0		0.56
phenylalanine-7.0 (c:2/p:3)	M		1	3	1	4	0		0.3	0.22	1.0		0.51
UMP-7.0 (c:5/p:5)	M		1	7	1	5	0		0.27	0.08	1.0		0.45
UMP-7.0 (c:5/p:6)	M		2	7	1	5	0		-0.06	0.08	1.0		0.34	+
UMP-7.0 (c:5/p:7)	M		1	7	1	5	0		-0.16	0.08	1.0		0.31