PEAK 329 (2.427 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
0.83	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)		+
0.71	p18	+	7.871	82 (7.932-7.854)		0.97	0.97	0.35		G95_6 (5)	G90_4 (16)	G85_1 (69)	G80_1 (106)		+
0.75	p48	+	5.923	132 (5.976-5.898)		0.97	0.97	0.25		G95_6 (5)	G90_4 (16)	G85_1 (69)	G80_1 (106)		+
0.74	p49	+	5.916	132 (5.976-5.898)		0.94	0.94	0.15		G95_6 (5)	G90_4 (16)	G85_1 (69)	G80_1 (106)		+
0.7	p55	+	5.894	134 (5.898-5.82)		0.95	0.94	0.2		G95_6 (5)	G90_4 (16)	G85_1 (69)	G80_1 (106)		+
0.71	p79	+	4.434	170 (4.49-4.412)		0.96	0.91	0.55		G95_5 (7)	G90_4 (16)	G85_1 (69)	G80_1 (106)		+
0.75	p90	+	4.231	175 (4.294-4.216)		0.89	0.79	0.3		G95_6 (5)	G90_4 (16)	G85_1 (69)	G80_1 (106)		+
0.82	p93	+	4.147	178 (4.177-4.099)		0.93	0.88	0.25		G95_40 (1)	G90_31 (1)	G85_1 (69)	G80_1 (106)		+
0.7	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)		+
0.79	p148	+	3.766	187 (3.825-3.747)		0.43	0.27	0.4		G95_58 (1)	G90_44 (1)	G85_30 (1)	G80_1 (106)		+
0.74	p198	+	3.56	192 (3.629-3.551)		0.86	0.91	0.9		G95_73 (0)	G90_52 (0)	G85_1 (69)	G80_1 (106)		+
0.71	p238	+	3.366	198 (3.395-3.317)		0.59	0.83	0.0		G95_78 (0)	G90_55 (0)	G85_36 (0)	G80_25 (0)		+
0.75	p240	+	3.349	198 (3.395-3.317)		0.88	0.76	0.1		G95_80 (0)	G90_57 (0)	G85_1 (69)	G80_1 (106)		+
0.82	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)		+
0.76	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)		+
0.82	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)		+
0.82	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)		+
0.74	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)		+
0.75	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)		+
0.82	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)		+
0.77	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)		+
0.76	p295	+	2.921	209 (2.964-2.886)		0.51	0.87	0.05		G95_93 (0)	G90_67 (0)	G85_43 (0)	G80_30 (0)		+
0.74	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)		+
0.78	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)		+
0.83	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)		+
0.77	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)		+
0.74	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)		+
0.78	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)		+
0.79	p322	+	2.475	221 (2.495-2.417)		0.94	0.86	0.5		G95_10 (3)	G90_5 (8)	G85_1 (69)	G80_1 (106)		+
0.76	p323	+	2.463	221 (2.495-2.417)		0.96	0.9	0.65		G95_10 (3)	G90_5 (8)	G85_1 (69)	G80_1 (106)		+
0.75	p324	+	2.453	221 (2.495-2.417)		0.93	0.91	0.65		G95_10 (3)	G90_5 (8)	G85_1 (69)	G80_1 (106)		+
0.81	p325	+	2.44	221 (2.495-2.417)		0.96	0.89	0.6		G95_10 (3)	G90_5 (8)	G85_1 (69)	G80_1 (106)		+
0.82	p332	+	2.373	223 (2.417-2.339)		0.81	0.88	0.25		G95_21 (2)	G90_11 (2)	G85_1 (69)	G80_1 (106)		+
0.82	p333	+	2.367	223 (2.417-2.339)		0.76	0.83	0.05		G95_97 (0)	G90_11 (2)	G85_1 (69)	G80_1 (106)		+
0.71	p334	+	2.36	223 (2.417-2.339)		0.9	0.94	0.55		G95_98 (0)	G90_5 (8)	G85_1 (69)	G80_1 (106)		+
0.82	p339	+	2.347	224 (2.378-2.3)		0.73	0.86	0.15		G95_21 (2)	G90_11 (2)	G85_1 (69)	G80_1 (106)		+
0.75	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)		+
0.78	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)		+
0.76	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)		+
0.75	p348	+	2.132	229 (2.182-2.104)		0.92	0.93	0.65		G95_22 (2)	G90_5 (8)	G85_1 (69)	G80_1 (106)		+
0.7	p353	+	2.107	230 (2.143-2.065)		0.82	0.88	0.2		G95_102 (0)	G90_5 (8)	G85_1 (69)	G80_1 (106)		+
0.86	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)		+
0.84	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)		+
0.84	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)		+

IDENTIFICATION ANALYSIS

METABOLITE	TYPE		IC:MATCHING	IC:TOTAL	EC:MATCHING	EC:TOTAL	OTHERS		X	Y	Z		SCORE	FIG
beta_hidroxybutyrate-7.0 (c:2/p:1)	M		1	4	1	4	0		-0.03	0.13	1.0		0.37
beta_hidroxybutyrate-7.0 (c:2/p:2)	M		1	4	1	4	0		-0.04	0.13	1.0		0.36
beta_hidroxybutyrate-7.0 (c:2/p:3)	M		1	4	1	4	0		0.49	0.13	1.0		0.54
Carnitine-7.0 (c:4/p:3)	M		1	7	1	4	0		0.42	0.06	1.0		0.49
Carnitine-7.0 (c:4/p:4)	M		1	7	1	4	0		0.54	0.06	1.0		0.53
Carnitine-7.0 (c:4/p:5)	M		1	7	1	4	0		0.47	0.06	1.0		0.51
Carnitine-7.0 (c:4/p:6)	M		1	7	1	4	0		-0.24	0.06	1.0		0.27
Carnitine-7.0 (c:4/p:7)	M		1	7	1	4	0		-0.25	0.06	1.0		0.27
glutamine-7.0 (c:2/p:8)	M		1	13	1	3	0		0.62	0.39	1.0		0.67
glutamine-7.0 (c:2/p:9)	M		1	13	1	3	0		0.3	0.39	1.0		0.56
glutamine-7.0 (c:2/p:10)	M		1	13	1	3	0		-0.12	0.39	1.0		0.43
glutamine-7.0 (c:2/p:11)	M		1	13	1	3	0		-0.12	0.39	1.0		0.42
glutamine-7.0 (c:2/p:12)	M		1	13	1	3	0		-0.12	0.39	1.0		0.42