PEAK 341 (2.187 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
0.76	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)		+
0.83	p4	+	8.617	63 (8.675-8.597)		0.97	1.0	0.35		G95_9 (4)	G90_9 (3)	G85_7 (4)	G80_1 (106)		+
0.7	p6	+	8.581	64 (8.636-8.558)		0.55	0.96	0.05		G95_27 (1)	G90_20 (1)	G85_17 (1)	G80_12 (1)		+
0.84	p11	+	8.27	72 (8.323-8.245)		0.84	0.99	0.2		G95_9 (4)	G90_9 (3)	G85_7 (4)	G80_1 (106)		+
0.84	p40	+	6.152	126 (6.211-6.133)		0.83	0.98	0.1		G95_9 (4)	G90_9 (3)	G85_7 (4)	G80_1 (106)		+
0.83	p41	+	6.142	126 (6.211-6.133)		0.83	0.98	0.05		G95_9 (4)	G90_9 (3)	G85_7 (4)	G80_1 (106)		+
0.75	p75	+	4.515	168 (4.568-4.49)		0.81	0.95	0.3		G95_36 (1)	G90_29 (1)	G85_21 (1)	G80_5 (2)		+
0.74	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)		+
0.79	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)		+
0.7	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)		+
0.74	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)		+
0.78	p140	+	3.818	186 (3.864-3.786)		0.84	0.79	0.3		G95_54 (1)	G90_40 (1)	G85_11 (2)	G80_1 (106)		+
0.72	p145	+	3.79	187 (3.825-3.747)		0.88	0.95	0.9		G95_56 (1)	G90_42 (1)	G85_29 (1)	G80_1 (106)		+
0.85	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)		+
0.77	p151	+	3.782	188 (3.786-3.708)		0.55	0.68	0.85		G95_60 (1)	G90_46 (1)	G85_3 (19)	G80_1 (106)		+
0.75	p186	+	3.631	191 (3.668-3.591)		0.29	0.51	0.1		G95_68 (1)	G90_50 (1)	G85_34 (0)	G80_23 (0)		+
0.89	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)		+
0.85	p244	+	3.323	199 (3.356-3.278)		0.88	0.89	0.5		G95_3 (15)	G90_3 (19)	G85_3 (19)	G80_1 (106)		+
0.91	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)		+
0.83	p246	+	3.299	199 (3.356-3.278)		0.4	0.89	0.45		G95_81 (0)	G90_58 (0)	G85_11 (2)	G80_1 (106)		+
0.77	p261	+	3.231	202 (3.238-3.16)		0.93	0.95	0.9		G95_85 (0)	G90_61 (0)	G85_39 (0)	G80_1 (106)		+
0.72	p265	+	3.183	202 (3.238-3.16)		0.89	0.89	0.35		G95_88 (0)	G90_64 (0)	G85_1 (69)	G80_1 (106)		+
0.82	p281	+	2.999	207 (3.043-2.965)		0.92	0.88	0.45		G95_3 (15)	G90_3 (19)	G85_3 (19)	G80_1 (106)		+
0.87	p282	+	2.984	207 (3.043-2.965)		0.89	0.91	0.45		G95_3 (15)	G90_3 (19)	G85_3 (19)	G80_1 (106)		+
0.85	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)		+
0.97	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)		+
0.82	p293	+	2.946	209 (2.964-2.886)		0.26	0.86	0.05		G95_17 (2)	G90_3 (19)	G85_3 (19)	G80_1 (106)		+
0.77	p294	+	2.93	209 (2.964-2.886)		0.29	0.81	0.25		G95_92 (0)	G90_3 (19)	G85_3 (19)	G80_1 (106)		+
0.96	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	p311	+	2.562	218 (2.612-2.534)		0.36	0.9	0.0		G95_17 (2)	G90_3 (19)	G85_3 (19)	G80_1 (106)		+
0.95	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)		+
0.93	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)		+
0.9	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)		+
0.91	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)		+
0.93	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)		+
0.75	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)		+
0.73	p330	+	2.408	222 (2.456-2.378)		0.89	0.98	0.65		G95_96 (0)	G90_69 (0)	G85_44 (0)	G80_1 (106)		+
0.99	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)		+
0.99	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)		+
0.8	p356	+	2.085	231 (2.104-2.026)		0.59	0.49	0.1		G95_103 (0)	G90_72 (0)	G85_46 (0)	G80_1 (106)		+
0.75	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)		+
0.74	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)		+
0.75	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)		+
0.75	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)		+
0.77	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)		+
0.7	p407	+	0.745	265 (0.774-0.696)		0.45	0.67	0.0		G95_112 (0)	G90_81 (0)	G85_53 (0)	G80_36 (0)		+

IDENTIFICATION ANALYSIS

METABOLITE	TYPE		IC:MATCHING	IC:TOTAL	EC:MATCHING	EC:TOTAL	OTHERS		X	Y	Z		SCORE	FIG
glutamate-7.0 (c:3/p:1)	M		3	12	1	3	0		-0.1	0.23	1.0		0.38	+
glutamine-7.0 (c:3/p:1)	M		3	8	2	3	0		-0.14	0.61	1.0		0.49	+
glutamine-7.0 (c:3/p:2)	M		2	8	2	3	1		0.12	0.61	0.95		0.56	+
glutamine-7.0 (c:3/p:3)	M		1	8	2	3	2		0.22	0.61	0.9		0.58	+
methionine-7.0 (c:3/p:4)	M		3	13	2	3	0		-0.1	0.95	1.0		0.61	+
methionine-7.0 (c:3/p:5)	M		2	13	1	3	1		-0.1	0.76	0.95		0.53	+
methionine-7.0 (c:3/p:6)	M		2	13	1	3	1		-0.1	0.76	0.95		0.53	+
methionine-7.0 (c:3/p:7)	M		1	13	1	3	2		-0.09	0.76	0.9		0.52
methionine-7.0 (c:3/p:8)	M		2	13	1	3	1		-0.06	0.76	0.95		0.55	+