#METABOLOMICS WORKBENCH jrenaud86_20200417_121133 DATATRACK_ID:1989 STUDY_ID:ST001435 ANALYSIS_ID:AN002398
VERSION                          	1
CREATED_ON                       	02-08-2024
#PROJECT
PR:PROJECT_TITLE                 	Metabolomics reveals plant and microbial driven chemical evolution in Acer
PR:PROJECT_TITLE                 	saccharum sap over a maple syrup production season.
PR:PROJECT_TYPE                  	Non-targeted high resolution MS of Tree sap over a Maple syrup production season
PR:PROJECT_SUMMARY               	This project seeks to understand the chemicals present in the Sap of sugar maple
PR:PROJECT_SUMMARY               	trees that act as precursors to the flavor compounds produced.
PR:INSTITUTE                     	Agriculture and Agri-Food Canada
PR:DEPARTMENT                    	Chemistry
PR:LAST_NAME                     	Renaud
PR:FIRST_NAME                    	Justin
PR:ADDRESS                       	1391 Sandford Street, London, Ontario, LN5V 4T3, Canada
PR:EMAIL                         	justin.renaud@canada.ca
PR:PHONE                         	519-953-6698
PR:FUNDING_SOURCE                	MITACS - Ontario Maple Syrup Producer Association
PR:DOI                           	http://dx.doi.org/10.21228/M87Q4T
#STUDY
ST:STUDY_TITLE                   	Maple Sap analysis from Ontario Canada
ST:STUDY_SUMMARY                 	Sap samples from sugar maple trees across the Canadian province of Ontario were
ST:STUDY_SUMMARY                 	collected in 2019. These samples were minimally prepared and analyzed in both
ST:STUDY_SUMMARY                 	positive ESI and negative ESI by C18 and HILIC chromatography. This was done to
ST:STUDY_SUMMARY                 	uncover the chemical changes that occurred in the sap over the season. This will
ST:STUDY_SUMMARY                 	serve as the base for future analysis of maple syrup where compounds that may be
ST:STUDY_SUMMARY                 	responsible for specific organoleptic properties can be linked back to
ST:STUDY_SUMMARY                 	precursors found here in the sap.
ST:INSTITUTE                     	Agriculture and Agri-Food Canada
ST:LAST_NAME                     	Renaud
ST:FIRST_NAME                    	Justin
ST:ADDRESS                       	1391 Sandford Street, London, Ontario, LN5V 4T3, Canada
ST:EMAIL                         	justin.renaud@canada.ca
ST:PHONE                         	519-619-2965
ST:SUBMIT_DATE                   	2020-04-17
#SUBJECT
SU:SUBJECT_TYPE                  	Plant
SU:SUBJECT_SPECIES               	Acer saccharum
SU:TAXONOMY_ID                   	4024
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	118_pos	OMSPA region:Algoma & District	Date of collection=3/30/2019; RAW_FILE_NAME=smp_118_pos.raw; Polarity=ESI+; Date to bud break=55
SUBJECT_SAMPLE_FACTORS           	-	120_pos	OMSPA region:Algoma & District	Date of collection=4/4/2019; RAW_FILE_NAME=smp_120_pos.raw; Polarity=ESI+; Date to bud break=50
SUBJECT_SAMPLE_FACTORS           	-	125_pos	OMSPA region:Algoma & District	Date of collection=4/9/2019; RAW_FILE_NAME=smp_125_pos.raw; Polarity=ESI+; Date to bud break=45
SUBJECT_SAMPLE_FACTORS           	-	129_pos	OMSPA region:Algoma & District	Date of collection=4/14/2019; RAW_FILE_NAME=smp_129_pos.raw; Polarity=ESI+; Date to bud break=40
SUBJECT_SAMPLE_FACTORS           	-	134_pos	OMSPA region:Algoma & District	Date of collection=4/19/2019; RAW_FILE_NAME=smp_134_pos.raw; Polarity=ESI+; Date to bud break=35
SUBJECT_SAMPLE_FACTORS           	-	139_pos	OMSPA region:Algoma & District	Date of collection=4/24/2019; RAW_FILE_NAME=smp_139_pos.raw; Polarity=ESI+; Date to bud break=30
SUBJECT_SAMPLE_FACTORS           	-	140_pos	OMSPA region:Algoma & District	Date of collection=4/25/2019; RAW_FILE_NAME=smp_140_pos.raw; Polarity=ESI+; Date to bud break=29
SUBJECT_SAMPLE_FACTORS           	-	141_pos	OMSPA region:Algoma & District	Date of collection=4/26/2019; RAW_FILE_NAME=smp_141_pos.raw; Polarity=ESI+; Date to bud break=28
SUBJECT_SAMPLE_FACTORS           	-	147_pos	OMSPA region:Algoquin & District	Date of collection=3/29/2019; RAW_FILE_NAME=smp_147_pos.raw; Polarity=ESI+; Date to bud break=50
SUBJECT_SAMPLE_FACTORS           	-	159_pos	OMSPA region:Algoquin & District	Date of collection=4/13/2019; RAW_FILE_NAME=smp_159_pos.raw; Polarity=ESI+; Date to bud break=35
SUBJECT_SAMPLE_FACTORS           	-	160_pos	OMSPA region:Algoquin & District	Date of collection=4/14/2019; RAW_FILE_NAME=smp_160_pos.raw; Polarity=ESI+; Date to bud break=34
SUBJECT_SAMPLE_FACTORS           	-	268_pos	OMSPA region:Eastern	Date of collection=3/25/2019; RAW_FILE_NAME=smp_268_pos.raw; Polarity=ESI+; Date to bud break=49
SUBJECT_SAMPLE_FACTORS           	-	271_pos	OMSPA region:Eastern	Date of collection=3/29/2019; RAW_FILE_NAME=smp_271_pos.raw; Polarity=ESI+; Date to bud break=45
SUBJECT_SAMPLE_FACTORS           	-	274_pos	OMSPA region:Eastern	Date of collection=4/3/2019; RAW_FILE_NAME=smp_274_pos.raw; Polarity=ESI+; Date to bud break=40
SUBJECT_SAMPLE_FACTORS           	-	275_pos	OMSPA region:Eastern	Date of collection=4/4/2019; RAW_FILE_NAME=smp_275_pos.raw; Polarity=ESI+; Date to bud break=39
SUBJECT_SAMPLE_FACTORS           	-	278_pos	OMSPA region:Eastern	Date of collection=4/8/2019; RAW_FILE_NAME=smp_278_pos.raw; Polarity=ESI+; Date to bud break=35
SUBJECT_SAMPLE_FACTORS           	-	282_pos	OMSPA region:Eastern	Date of collection=4/13/2019; RAW_FILE_NAME=smp_282_pos.raw; Polarity=ESI+; Date to bud break=30
SUBJECT_SAMPLE_FACTORS           	-	29_pos	OMSPA region:Grey Bruce & District	Date of collection=3/23/2019; RAW_FILE_NAME=smp_29_pos.raw; Polarity=ESI+; Date to bud break=56
SUBJECT_SAMPLE_FACTORS           	-	30_pos	OMSPA region:Grey Bruce & District	Date of collection=3/24/2019; RAW_FILE_NAME=smp_30_pos.raw; Polarity=ESI+; Date to bud break=55
SUBJECT_SAMPLE_FACTORS           	-	35_pos	OMSPA region:Grey Bruce & District	Date of collection=4/2/2019; RAW_FILE_NAME=smp_35_pos.raw; Polarity=ESI+; Date to bud break=46
SUBJECT_SAMPLE_FACTORS           	-	36_pos	OMSPA region:Grey Bruce & District	Date of collection=4/3/2019; RAW_FILE_NAME=smp_36_pos.raw; Polarity=ESI+; Date to bud break=45
SUBJECT_SAMPLE_FACTORS           	-	39_pos	OMSPA region:Grey Bruce & District	Date of collection=4/7/2019; RAW_FILE_NAME=smp_39_pos.raw; Polarity=ESI+; Date to bud break=41
SUBJECT_SAMPLE_FACTORS           	-	40_pos	OMSPA region:Grey Bruce & District	Date of collection=4/8/2019; RAW_FILE_NAME=smp_40_pos.raw; Polarity=ESI+; Date to bud break=40
SUBJECT_SAMPLE_FACTORS           	-	43_pos	OMSPA region:Grey Bruce & District	Date of collection=4/13/2019; RAW_FILE_NAME=smp_43_pos.raw; Polarity=ESI+; Date to bud break=35
SUBJECT_SAMPLE_FACTORS           	-	46_pos	OMSPA region:Grey Bruce & District	Date of collection=4/18/2019; RAW_FILE_NAME=smp_46_pos.raw; Polarity=ESI+; Date to bud break=30
SUBJECT_SAMPLE_FACTORS           	-	47_pos	OMSPA region:Grey Bruce & District	Date of collection=4/21/2019; RAW_FILE_NAME=smp_47_pos.raw; Polarity=ESI+; Date to bud break=27
SUBJECT_SAMPLE_FACTORS           	-	52_pos	OMSPA region:Grey Bruce & District	Date of collection=3/24/2019; RAW_FILE_NAME=smp_52_pos.raw; Polarity=ESI+; Date to bud break=55
SUBJECT_SAMPLE_FACTORS           	-	57_pos	OMSPA region:Grey Bruce & District	Date of collection=3/29/2019; RAW_FILE_NAME=smp_57_pos.raw; Polarity=ESI+; Date to bud break=50
SUBJECT_SAMPLE_FACTORS           	-	59_pos	OMSPA region:Grey Bruce & District	Date of collection=4/3/2019; RAW_FILE_NAME=smp_59_pos.raw; Polarity=ESI+; Date to bud break=45
SUBJECT_SAMPLE_FACTORS           	-	63_pos	OMSPA region:Grey Bruce & District	Date of collection=4/12/2019; RAW_FILE_NAME=smp_63_pos.raw; Polarity=ESI+; Date to bud break=36
SUBJECT_SAMPLE_FACTORS           	-	172_pos	OMSPA region:Haliburton & Kawartha	Date of collection=4/1/2019; RAW_FILE_NAME=smp_172_pos.raw; Polarity=ESI+; Date to bud break=40
SUBJECT_SAMPLE_FACTORS           	-	176_pos	OMSPA region:Haliburton & Kawartha	Date of collection=4/6/2019; RAW_FILE_NAME=smp_176_pos.raw; Polarity=ESI+; Date to bud break=35
SUBJECT_SAMPLE_FACTORS           	-	178_pos	OMSPA region:Haliburton & Kawartha	Date of collection=4/12/2019; RAW_FILE_NAME=smp_178_pos.raw; Polarity=ESI+; Date to bud break=29
SUBJECT_SAMPLE_FACTORS           	-	179_pos	OMSPA region:Haliburton & Kawartha	Date of collection=4/13/2019; RAW_FILE_NAME=smp_179_pos.raw; Polarity=ESI+; Date to bud break=28
SUBJECT_SAMPLE_FACTORS           	-	180_pos	OMSPA region:Haliburton & Kawartha	Date of collection=4/16/2019; RAW_FILE_NAME=smp_180_pos.raw; Polarity=ESI+; Date to bud break=25
SUBJECT_SAMPLE_FACTORS           	-	181_pos	OMSPA region:Haliburton & Kawartha	Date of collection=4/17/2019; RAW_FILE_NAME=smp_181_pos.raw; Polarity=ESI+; Date to bud break=24
SUBJECT_SAMPLE_FACTORS           	-	182_pos	OMSPA region:Haliburton & Kawartha	Date of collection=4/19/2019; RAW_FILE_NAME=smp_182_pos.raw; Polarity=ESI+; Date to bud break=22
SUBJECT_SAMPLE_FACTORS           	-	183_pos	OMSPA region:Haliburton & Kawartha	Date of collection=4/20/2019; RAW_FILE_NAME=smp_183_pos.raw; Polarity=ESI+; Date to bud break=21
SUBJECT_SAMPLE_FACTORS           	-	184_pos	OMSPA region:Haliburton & Kawartha	Date of collection=4/21/2019; RAW_FILE_NAME=smp_184_pos.raw; Polarity=ESI+; Date to bud break=20
SUBJECT_SAMPLE_FACTORS           	-	248_pos	OMSPA region:Lanark & District	Date of collection=3/20/2019; RAW_FILE_NAME=smp_248_pos.raw; Polarity=ESI+; Date to bud break=50
SUBJECT_SAMPLE_FACTORS           	-	251_pos	OMSPA region:Lanark & District	Date of collection=3/26/2019; RAW_FILE_NAME=smp_251_pos.raw; Polarity=ESI+; Date to bud break=44
SUBJECT_SAMPLE_FACTORS           	-	255_pos	OMSPA region:Lanark & District	Date of collection=3/31/2019; RAW_FILE_NAME=smp_255_pos.raw; Polarity=ESI+; Date to bud break=39
SUBJECT_SAMPLE_FACTORS           	-	258_pos	OMSPA region:Lanark & District	Date of collection=4/4/2019; RAW_FILE_NAME=smp_258_pos.raw; Polarity=ESI+; Date to bud break=35
SUBJECT_SAMPLE_FACTORS           	-	259_pos	OMSPA region:Lanark & District	Date of collection=4/5/2019; RAW_FILE_NAME=smp_259_pos.raw; Polarity=ESI+; Date to bud break=34
SUBJECT_SAMPLE_FACTORS           	-	263_pos	OMSPA region:Lanark & District	Date of collection=4/10/2019; RAW_FILE_NAME=smp_263_pos.raw; Polarity=ESI+; Date to bud break=29
SUBJECT_SAMPLE_FACTORS           	-	264_pos	OMSPA region:Lanark & District	Date of collection=4/11/2019; RAW_FILE_NAME=smp_264_pos.raw; Polarity=ESI+; Date to bud break=28
SUBJECT_SAMPLE_FACTORS           	-	265_pos	OMSPA region:Lanark & District	Date of collection=4/12/2019; RAW_FILE_NAME=smp_265_pos.raw; Polarity=ESI+; Date to bud break=27
SUBJECT_SAMPLE_FACTORS           	-	194_pos	OMSPA region:Ottawa Valley District	Date of collection=4/4/2019; RAW_FILE_NAME=smp_194_pos.raw; Polarity=ESI+; Date to bud break=45
SUBJECT_SAMPLE_FACTORS           	-	198_pos	OMSPA region:Ottawa Valley District	Date of collection=4/9/2019; RAW_FILE_NAME=smp_198_pos.raw; Polarity=ESI+; Date to bud break=40
SUBJECT_SAMPLE_FACTORS           	-	199_pos	OMSPA region:Ottawa Valley District	Date of collection=4/9/2019; RAW_FILE_NAME=smp_199_pos.raw; Polarity=ESI+; Date to bud break=40
SUBJECT_SAMPLE_FACTORS           	-	200_pos	OMSPA region:Ottawa Valley District	Date of collection=4/10/2019; RAW_FILE_NAME=smp_200_pos.raw; Polarity=ESI+; Date to bud break=39
SUBJECT_SAMPLE_FACTORS           	-	204_pos	OMSPA region:Ottawa Valley District	Date of collection=4/14/2019; RAW_FILE_NAME=smp_204_pos.raw; Polarity=ESI+; Date to bud break=35
SUBJECT_SAMPLE_FACTORS           	-	205_pos	OMSPA region:Ottawa Valley District	Date of collection=4/15/2019; RAW_FILE_NAME=smp_205_pos.raw; Polarity=ESI+; Date to bud break=34
SUBJECT_SAMPLE_FACTORS           	-	210_pos	OMSPA region:Ottawa Valley District	Date of collection=4/19/2019; RAW_FILE_NAME=smp_210_pos.raw; Polarity=ESI+; Date to bud break=30
SUBJECT_SAMPLE_FACTORS           	-	211_pos	OMSPA region:Ottawa Valley District	Date of collection=4/20/2019; RAW_FILE_NAME=smp_211_pos.raw; Polarity=ESI+; Date to bud break=29
SUBJECT_SAMPLE_FACTORS           	-	212_pos	OMSPA region:Ottawa Valley District	Date of collection=4/21/2019; RAW_FILE_NAME=smp_212_pos.raw; Polarity=ESI+; Date to bud break=28
SUBJECT_SAMPLE_FACTORS           	-	213_pos	OMSPA region:Ottawa Valley District	Date of collection=4/21/2019; RAW_FILE_NAME=smp_213_pos.raw; Polarity=ESI+; Date to bud break=28
SUBJECT_SAMPLE_FACTORS           	-	214_pos	OMSPA region:Ottawa Valley District	Date of collection=4/22/2019; RAW_FILE_NAME=smp_214_pos.raw; Polarity=ESI+; Date to bud break=27
SUBJECT_SAMPLE_FACTORS           	-	215_pos	OMSPA region:Ottawa Valley District	Date of collection=4/23/2019; RAW_FILE_NAME=smp_215_pos.raw; Polarity=ESI+; Date to bud break=26
SUBJECT_SAMPLE_FACTORS           	-	216_pos	OMSPA region:Ottawa Valley District	Date of collection=4/24/2019; RAW_FILE_NAME=smp_216_pos.raw; Polarity=ESI+; Date to bud break=25
SUBJECT_SAMPLE_FACTORS           	-	217_pos	OMSPA region:Ottawa Valley District	Date of collection=4/25/2019; RAW_FILE_NAME=smp_217_pos.raw; Polarity=ESI+; Date to bud break=24
SUBJECT_SAMPLE_FACTORS           	-	218_pos	OMSPA region:Ottawa Valley District	Date of collection=4/25/2019; RAW_FILE_NAME=smp_218_pos.raw; Polarity=ESI+; Date to bud break=24
SUBJECT_SAMPLE_FACTORS           	-	219_pos	OMSPA region:Ottawa Valley District	Date of collection=4/27/2019; RAW_FILE_NAME=smp_219_pos.raw; Polarity=ESI+; Date to bud break=22
SUBJECT_SAMPLE_FACTORS           	-	220_pos	OMSPA region:Ottawa Valley District	Date of collection=4/28/2019; RAW_FILE_NAME=smp_220_pos.raw; Polarity=ESI+; Date to bud break=21
SUBJECT_SAMPLE_FACTORS           	-	221_pos	OMSPA region:Ottawa Valley District	Date of collection=4/29/2019; RAW_FILE_NAME=smp_221_pos.raw; Polarity=ESI+; Date to bud break=20
SUBJECT_SAMPLE_FACTORS           	-	224_pos	OMSPA region:Quinte & District	Date of collection=3/19/2019; RAW_FILE_NAME=smp_224_pos.raw; Polarity=ESI+; Date to bud break=54
SUBJECT_SAMPLE_FACTORS           	-	227_pos	OMSPA region:Quinte & District	Date of collection=3/29/2019; RAW_FILE_NAME=smp_227_pos.raw; Polarity=ESI+; Date to bud break=44
SUBJECT_SAMPLE_FACTORS           	-	229_pos	OMSPA region:Quinte & District	Date of collection=4/2/2019; RAW_FILE_NAME=smp_229_pos.raw; Polarity=ESI+; Date to bud break=40
SUBJECT_SAMPLE_FACTORS           	-	233_pos	OMSPA region:Quinte & District	Date of collection=4/7/2019; RAW_FILE_NAME=smp_233_pos.raw; Polarity=ESI+; Date to bud break=35
SUBJECT_SAMPLE_FACTORS           	-	236_pos	OMSPA region:Quinte & District	Date of collection=4/13/2019; RAW_FILE_NAME=smp_236_pos.raw; Polarity=ESI+; Date to bud break=29
SUBJECT_SAMPLE_FACTORS           	-	237_pos	OMSPA region:Quinte & District	Date of collection=4/15/2019; RAW_FILE_NAME=smp_237_pos.raw; Polarity=ESI+; Date to bud break=27
SUBJECT_SAMPLE_FACTORS           	-	238_pos	OMSPA region:Quinte & District	Date of collection=4/16/2019; RAW_FILE_NAME=smp_238_pos.raw; Polarity=ESI+; Date to bud break=26
SUBJECT_SAMPLE_FACTORS           	-	240_pos	OMSPA region:Quinte & District	Date of collection=4/18/2019; RAW_FILE_NAME=smp_240_pos.raw; Polarity=ESI+; Date to bud break=24
SUBJECT_SAMPLE_FACTORS           	-	241_pos	OMSPA region:Quinte & District	Date of collection=4/22/2019; RAW_FILE_NAME=smp_241_pos.raw; Polarity=ESI+; Date to bud break=20
SUBJECT_SAMPLE_FACTORS           	-	242_pos	OMSPA region:Quinte & District	Date of collection=4/25/2019; RAW_FILE_NAME=smp_242_pos.raw; Polarity=ESI+; Date to bud break=17
SUBJECT_SAMPLE_FACTORS           	-	243_pos	OMSPA region:Quinte & District	Date of collection=4/28/2019; RAW_FILE_NAME=smp_243_pos.raw; Polarity=ESI+; Date to bud break=14
SUBJECT_SAMPLE_FACTORS           	-	244_pos	OMSPA region:Quinte & District	Date of collection=4/29/2019; RAW_FILE_NAME=smp_244_pos.raw; Polarity=ESI+; Date to bud break=13
SUBJECT_SAMPLE_FACTORS           	-	245_pos	OMSPA region:Quinte & District	Date of collection=5/7/2019; RAW_FILE_NAME=smp_245_pos.raw; Polarity=ESI+; Date to bud break=5
SUBJECT_SAMPLE_FACTORS           	-	102_pos	OMSPA region:Simcoe & District	Date of collection=4/14/2019; RAW_FILE_NAME=smp_102_pos.raw; Polarity=ESI+; Date to bud break=30
SUBJECT_SAMPLE_FACTORS           	-	103_pos	OMSPA region:Simcoe & District	Date of collection=4/14/2019; RAW_FILE_NAME=smp_103_pos.raw; Polarity=ESI+; Date to bud break=30
SUBJECT_SAMPLE_FACTORS           	-	104_pos	OMSPA region:Simcoe & District	Date of collection=4/15/2019; RAW_FILE_NAME=smp_104_pos.raw; Polarity=ESI+; Date to bud break=29
SUBJECT_SAMPLE_FACTORS           	-	105_pos	OMSPA region:Simcoe & District	Date of collection=4/16/2019; RAW_FILE_NAME=smp_105_pos.raw; Polarity=ESI+; Date to bud break=28
SUBJECT_SAMPLE_FACTORS           	-	106_pos	OMSPA region:Simcoe & District	Date of collection=4/17/2019; RAW_FILE_NAME=smp_106_pos.raw; Polarity=ESI+; Date to bud break=27
SUBJECT_SAMPLE_FACTORS           	-	107_pos	OMSPA region:Simcoe & District	Date of collection=4/18/2019; RAW_FILE_NAME=smp_107_pos.raw; Polarity=ESI+; Date to bud break=26
SUBJECT_SAMPLE_FACTORS           	-	108_pos	OMSPA region:Simcoe & District	Date of collection=4/20/2019; RAW_FILE_NAME=smp_108_pos.raw; Polarity=ESI+; Date to bud break=24
SUBJECT_SAMPLE_FACTORS           	-	109_pos	OMSPA region:Simcoe & District	Date of collection=4/24/2019; RAW_FILE_NAME=smp_109_pos.raw; Polarity=ESI+; Date to bud break=20
SUBJECT_SAMPLE_FACTORS           	-	110_pos	OMSPA region:Simcoe & District	Date of collection=4/25/2019; RAW_FILE_NAME=smp_110_pos.raw; Polarity=ESI+; Date to bud break=19
SUBJECT_SAMPLE_FACTORS           	-	82_pos	OMSPA region:Simcoe & District	Date of collection=3/20/2019; RAW_FILE_NAME=smp_82_pos.raw; Polarity=ESI+; Date to bud break=55
SUBJECT_SAMPLE_FACTORS           	-	85_pos	OMSPA region:Simcoe & District	Date of collection=3/25/2019; RAW_FILE_NAME=smp_85_pos.raw; Polarity=ESI+; Date to bud break=50
SUBJECT_SAMPLE_FACTORS           	-	90_pos	OMSPA region:Simcoe & District	Date of collection=3/30/2019; RAW_FILE_NAME=smp_90_pos.raw; Polarity=ESI+; Date to bud break=45
SUBJECT_SAMPLE_FACTORS           	-	94_pos	OMSPA region:Simcoe & District	Date of collection=4/4/2019; RAW_FILE_NAME=smp_94_pos.raw; Polarity=ESI+; Date to bud break=40
SUBJECT_SAMPLE_FACTORS           	-	98_pos	OMSPA region:Simcoe & District	Date of collection=4/9/2019; RAW_FILE_NAME=smp_98_pos.raw; Polarity=ESI+; Date to bud break=35
SUBJECT_SAMPLE_FACTORS           	-	10_pos	OMSPA region:Southwestern Ontario	Date of collection=3/20/2019; RAW_FILE_NAME=smp_10_pos.raw; Polarity=ESI+; Date to bud break=46
SUBJECT_SAMPLE_FACTORS           	-	13_pos	OMSPA region:Southwestern Ontario	Date of collection=3/25/2019; RAW_FILE_NAME=smp_13_pos.raw; Polarity=ESI+; Date to bud break=41
SUBJECT_SAMPLE_FACTORS           	-	17_pos	OMSPA region:Southwestern Ontario	Date of collection=3/30/2019; RAW_FILE_NAME=smp_17_pos.raw; Polarity=ESI+; Date to bud break=36
SUBJECT_SAMPLE_FACTORS           	-	21_pos	OMSPA region:Southwestern Ontario	Date of collection=4/5/2019; RAW_FILE_NAME=smp_21_pos.raw; Polarity=ESI+; Date to bud break=30
SUBJECT_SAMPLE_FACTORS           	-	22_pos	OMSPA region:Southwestern Ontario	Date of collection=4/6/2019; RAW_FILE_NAME=smp_22_pos.raw; Polarity=ESI+; Date to bud break=29
SUBJECT_SAMPLE_FACTORS           	-	23_pos	OMSPA region:Southwestern Ontario	Date of collection=4/7/2019; RAW_FILE_NAME=smp_23_pos.raw; Polarity=ESI+; Date to bud break=28
SUBJECT_SAMPLE_FACTORS           	-	5_pos	OMSPA region:Southwestern Ontario	Date of collection=3/15/2019; RAW_FILE_NAME=smp_5_pos.raw; Polarity=ESI+; Date to bud break=51
SUBJECT_SAMPLE_FACTORS           	-	6_pos	OMSPA region:Southwestern Ontario	Date of collection=3/16/2019; RAW_FILE_NAME=smp_6_pos.raw; Polarity=ESI+; Date to bud break=50
SUBJECT_SAMPLE_FACTORS           	-	71_pos	OMSPA region:Waterloo & Wellington	Date of collection=3/29/2019; RAW_FILE_NAME=smp_71_pos.raw; Polarity=ESI+; Date to bud break=41
SUBJECT_SAMPLE_FACTORS           	-	72_pos	OMSPA region:Waterloo & Wellington	Date of collection=4/3/2019; RAW_FILE_NAME=smp_72_pos.raw; Polarity=ESI+; Date to bud break=36
SUBJECT_SAMPLE_FACTORS           	-	73_pos	OMSPA region:Waterloo & Wellington	Date of collection=4/4/2019; RAW_FILE_NAME=smp_73_pos.raw; Polarity=ESI+; Date to bud break=35
SUBJECT_SAMPLE_FACTORS           	-	76_pos	OMSPA region:Waterloo & Wellington	Date of collection=4/10/2019; RAW_FILE_NAME=smp_76_pos.raw; Polarity=ESI+; Date to bud break=29
SUBJECT_SAMPLE_FACTORS           	-	77_pos	OMSPA region:Waterloo & Wellington	Date of collection=4/13/2019; RAW_FILE_NAME=smp_77_pos.raw; Polarity=ESI+; Date to bud break=26
SUBJECT_SAMPLE_FACTORS           	-	78_pos	OMSPA region:Waterloo & Wellington	Date of collection=4/17/2019; RAW_FILE_NAME=smp_78_pos.raw; Polarity=ESI+; Date to bud break=22
#COLLECTION
CO:COLLECTION_SUMMARY            	Sap samples (n = 282) were collected as approximately 10 ml aliquots into 15 ml
CO:COLLECTION_SUMMARY            	plastic centrifuge tubes contain 1.5 mg of sodium benzoate and stored at 4 ºC.
CO:COLLECTION_SUMMARY            	Samples were diluted 1:3 in methanol containing 0.15% formic acid and 30 mM
CO:COLLECTION_SUMMARY            	ammonium formate
CO:SAMPLE_TYPE                   	Plant
CO:STORAGE_CONDITIONS            	4℃
#TREATMENT
TR:TREATMENT_SUMMARY             	In 2019, maple sap and syrup samples were collected over the entire production
TR:TREATMENT_SUMMARY             	season by 12 members of the Ontario Maple Syrup Producers Association (OMSPA).
TR:TREATMENT_SUMMARY             	Sap samples were collected into tubes containing 1.5 mg sodium benzoate.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Samples were diluted 1:3 with methanol containing 0.15% FA and 30mM ammonium
SP:SAMPLEPREP_SUMMARY            	formate
#CHROMATOGRAPHY
CH:INSTRUMENT_NAME               	Agilent 1290
CH:COLUMN_NAME                   	Agilent HILIC-Z (2.1 × 100 mm, 2.7 µm)
CH:COLUMN_TEMPERATURE            	35
CH:FLOW_GRADIENT                 	0 min, 100% B; 0.5 min, 100% B; 5.3 min, 80% B; 9.5 min, 30% B; 13.5 min, 30% B,
CH:FLOW_GRADIENT                 	14.5 min 100% B and 16.5 min, 100% B.
CH:FLOW_RATE                     	0.350uL min01
CH:SOLVENT_A                     	100% water; 20 mM ammonium formate
CH:SOLVENT_B                     	90% acetonitrile/10% water; 20 mM ammonium formate
CH:CHROMATOGRAPHY_TYPE           	HILIC
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:MS_COMMENTS                   	The HILIC acquisition mode was a top 3 data-dependent acquisition (DDA)
MS:MS_COMMENTS                   	experiment comprised of a full MS scan in the mass range of m/z 58-870 at 35,000
MS:MS_COMMENTS                   	resolution, followed by MS/MS scans at 17,500 resolution, isolation window of
MS:MS_COMMENTS                   	m/z 1.2 and collision energy of 28
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	concentrations (ug/ml) 
MS_METABOLITE_DATA_START
Samples	118_pos	120_pos	125_pos	129_pos	134_pos	141_pos	147_pos	159_pos	160_pos	268_pos	271_pos	274_pos	275_pos	278_pos	282_pos	29_pos	30_pos	35_pos	36_pos	39_pos	40_pos	43_pos	46_pos	47_pos	52_pos	57_pos	59_pos	63_pos	172_pos	176_pos	178_pos	179_pos	180_pos	181_pos	182_pos	183_pos	184_pos	248_pos	251_pos	255_pos	258_pos	259_pos	263_pos	264_pos	265_pos	194_pos	198_pos	199_pos	200_pos	204_pos	205_pos	210_pos	211_pos	212_pos	213_pos	214_pos	215_pos	216_pos	217_pos	218_pos	219_pos	220_pos	221_pos	224_pos	227_pos	229_pos	233_pos	236_pos	237_pos	238_pos	240_pos	241_pos	242_pos	243_pos	244_pos	245_pos	102_pos	103_pos	104_pos	105_pos	107_pos	108_pos	109_pos	110_pos	82_pos	85_pos	90_pos	94_pos	98_pos	10_pos	13_pos	17_pos	21_pos	22_pos	5_pos	6_pos	71_pos	72_pos	73_pos	76_pos	77_pos	78_pos
Factors	OMSPA region:Algoma & District	OMSPA region:Algoma & District	OMSPA region:Algoma & District	OMSPA region:Algoma & District	OMSPA region:Algoma & District	OMSPA region:Algoma & District	OMSPA region:Algoquin & District	OMSPA region:Algoquin & District	OMSPA region:Algoquin & District	OMSPA region:Eastern	OMSPA region:Eastern	OMSPA region:Eastern	OMSPA region:Eastern	OMSPA region:Eastern	OMSPA region:Eastern	OMSPA region:Grey Bruce & District	OMSPA region:Grey Bruce & District	OMSPA region:Grey Bruce & District	OMSPA region:Grey Bruce & District	OMSPA region:Grey Bruce & District	OMSPA region:Grey Bruce & District	OMSPA region:Grey Bruce & District	OMSPA region:Grey Bruce & District	OMSPA region:Grey Bruce & District	OMSPA region:Grey Bruce & District	OMSPA region:Grey Bruce & District	OMSPA region:Grey Bruce & District	OMSPA region:Grey Bruce & District	OMSPA region:Haliburton & Kawartha	OMSPA region:Haliburton & Kawartha	OMSPA region:Haliburton & Kawartha	OMSPA region:Haliburton & Kawartha	OMSPA region:Haliburton & Kawartha	OMSPA region:Haliburton & Kawartha	OMSPA region:Haliburton & Kawartha	OMSPA region:Haliburton & Kawartha	OMSPA region:Haliburton & Kawartha	OMSPA region:Lanark & District	OMSPA region:Lanark & District	OMSPA region:Lanark & District	OMSPA region:Lanark & District	OMSPA region:Lanark & District	OMSPA region:Lanark & District	OMSPA region:Lanark & District	OMSPA region:Lanark & District	OMSPA region:Ottawa Valley District	OMSPA region:Ottawa Valley District	OMSPA region:Ottawa Valley District	OMSPA region:Ottawa Valley District	OMSPA region:Ottawa Valley District	OMSPA region:Ottawa Valley District	OMSPA region:Ottawa Valley District	OMSPA region:Ottawa Valley District	OMSPA region:Ottawa Valley District	OMSPA region:Ottawa Valley District	OMSPA region:Ottawa Valley District	OMSPA region:Ottawa Valley District	OMSPA region:Ottawa Valley District	OMSPA region:Ottawa Valley District	OMSPA region:Ottawa Valley District	OMSPA region:Ottawa Valley District	OMSPA region:Ottawa Valley District	OMSPA region:Ottawa Valley District	OMSPA region:Quinte & District	OMSPA region:Quinte & District	OMSPA region:Quinte & District	OMSPA region:Quinte & District	OMSPA region:Quinte & District	OMSPA region:Quinte & District	OMSPA region:Quinte & District	OMSPA region:Quinte & District	OMSPA region:Quinte & District	OMSPA region:Quinte & District	OMSPA region:Quinte & District	OMSPA region:Quinte & District	OMSPA region:Quinte & District	OMSPA region:Simcoe & District	OMSPA region:Simcoe & District	OMSPA region:Simcoe & District	OMSPA region:Simcoe & District	OMSPA region:Simcoe & District	OMSPA region:Simcoe & District	OMSPA region:Simcoe & District	OMSPA region:Simcoe & District	OMSPA region:Simcoe & District	OMSPA region:Simcoe & District	OMSPA region:Simcoe & District	OMSPA region:Simcoe & District	OMSPA region:Simcoe & District	OMSPA region:Southwestern Ontario	OMSPA region:Southwestern Ontario	OMSPA region:Southwestern Ontario	OMSPA region:Southwestern Ontario	OMSPA region:Southwestern Ontario	OMSPA region:Southwestern Ontario	OMSPA region:Southwestern Ontario	OMSPA region:Waterloo & Wellington	OMSPA region:Waterloo & Wellington	OMSPA region:Waterloo & Wellington	OMSPA region:Waterloo & Wellington	OMSPA region:Waterloo & Wellington	OMSPA region:Waterloo & Wellington	
A	2.4493	1.1065	2.1154	2.9254	2.7476	0.5453		0.5864	2.9032	0.2213	0.0373	0.5495	0.2726	0.5678	0.5633		1.0078	0.3703	0.9710	0.4496	0.1862	0.2365	0.5980	0.7479	0.0520	0.2964	0.5558	1.0380	0.2088	0.3377	0.1256	0.3270	0.7210	0.3426	0.7863	0.6798	0.4330	0.1621	0.5697	0.3620	0.2467	0.2123	0.3672	0.6900	0.4420	0.9172	0.5201	0.2871			0.6834	0.4378	0.3053	0.3804	0.5062	0.3263	0.6066	0.3645	0.9711	0.8150	0.8000		1.0979		0.2612	0.1115	0.1937	0.3022		0.2888	0.8731	2.2663	2.5701	1.6125	19.6652	1.2426	1.0382	0.4168	0.0830		0.2740	0.5203	0.5311	2.3627	0.2867	1.7680	0.2645	0.2867	0.6542	0.5336	1.6176	0.5026	0.6610	0.7520	0.2089	0.8066	0.2761	0.3813	0.4520	0.5400	2.0709	0.2140
cadaverine	0.2903	0.0421	0.3348	0.2594	0.3515	0.0376	0.0329	0.0173	0.0320	0.0233	0.0183	0.0506	0.0346	0.0590	0.0221	0.0280	0.0450	0.0241	0.0206	0.0400	0.0337	0.0220	0.0555	0.1121	0.0671	0.0971	0.0777	0.1415	0.0230	0.1511	0.0371	0.0442	0.0356	0.0581	0.0581	0.0929	0.1009	0.0189	0.0791	0.0499	0.0590	0.0303	0.0546	0.0200	0.0201	0.0703	0.0207	0.0231	0.1026	0.0499	0.0648	0.0355	0.0607	0.1231	0.0337	0.0299	0.0281	0.0486	0.0307	0.0520	0.2297	0.0161	0.0327	0.0153	0.0164	0.0192	0.0217	0.0214	0.0216	0.0298	0.0692	0.2786	0.3275	0.2481	0.0401	0.0742	0.0552	0.0859	0.0361	0.0225	0.0257	0.0337	0.1198	0.0800	0.0373	0.1319	0.0671	0.0243	0.0256	0.0198	0.0201	0.0190	0.0204	0.0300	0.0285	0.0338	0.0620	0.0417	0.0325	0.0283	0.0428	0.0292
choline	0.0127	0.0223	0.0079	0.0346	0.0191	0.0016	0.0039	0.0053	0.0235	0.0010	0.0003	0.0012	0.0016	0.0013	0.0138	0.0022	0.0039	0.0362	0.0121	0.0116	0.0053	0.0017	0.1430	0.3652	0.0047	0.0012	0.0045	0.0276	0.0023	0.0024	0.0018	0.0014	0.0019	0.0938	0.2777	0.1611	0.3771	0.0013	0.0181	0.0135	0.0062	0.0043	0.0685	0.0116	0.0057	0.0027	0.0047	0.0021	0.0008	0.0010	0.0017	0.0008	0.0009	0.0013	0.0005	0.0008	0.0026	0.5616	0.2110	0.0708	0.0383	0.0188	1.3696	0.0364	0.0015	0.0010	0.0025	0.0051	0.0027	0.0028	0.0042	1.2987	1.3343	1.3852	1.1540	1.8238	0.0095	0.0622	0.0390	0.0162	0.0021	0.0025	0.1473	2.3023	0.0038	0.0194	0.0050	0.0099	0.0029	0.0010	0.0043	0.0013	0.0048	0.0083		0.0011	0.0029	0.0031	0.0211	0.0162	0.0191	0.0029
D																										0.3989		0.3946																														0.3975														0.4034			5.5587		0.4067					0.4001			0.3918	1.0888																
E	0.6393	1.4537	0.5966	0.8248	0.4023	0.6578	0.4231	0.5560	0.6428	0.2545	0.2617	0.3485	0.3357	0.2616	0.2159	0.3071	0.3134	0.5905	0.2030	0.3839	0.1414	0.3542	0.2386	0.3209	0.4027	0.5432	0.2540	0.1718	0.4356	0.5870	0.3180	0.3131	0.2393	0.2060	0.3654	0.1026	0.0827	0.2847	0.4603	0.4116	0.2873	0.2708	0.0545	0.0293	0.0782	0.6735	1.0059	0.3602	0.5891	0.3758	0.3538	0.3180	0.4199	0.1573	0.2828	0.2399	0.2211	0.0326	0.0452	0.2268	0.0285	0.0513	0.0232	0.6632	0.1550	0.2831	0.5123	0.2696	0.1066	0.1407	0.0584	0.0568	0.1522	0.1160	96.3142	0.2955	0.3925	0.7363	0.4643	0.5997	0.0923	0.2395	0.3954	0.1260	0.1490	3.1041	0.1913	0.3316	0.1916	0.2360	1.2414	0.1985	0.1479	0.1448	0.1604	0.1533	0.6812	0.4220	0.4916	0.4039	0.4458	0.0506
F	0.0861	0.0686	0.0454	0.0409	0.0669	0.0692			0.0407		0.0374			0.0371			0.0410	0.0464								0.0380		0.0389	0.0371						0.0388	0.0373			0.0375	0.0411		0.0387				0.2269																	0.0439	0.1062			0.0373					0.0719	0.1271	0.0801	0.3389		0.0881	0.2330	0.1011	0.0525		0.5809	0.0390	0.1452		2.1561		0.0375	0.0377	0.0398	0.0529					0.0391	0.0449	0.0383			0.0389	
Fructose	476.7631	361.6350	388.9330	498.9542	533.9773	880.5897	653.2521	414.5661	750.5717	367.0342	295.6828	533.5166	427.2220	261.7561	659.8447	305.1175	711.2592	669.9938	568.2504	461.0738	606.0902	274.2250	421.5395	361.2445	711.1093	701.4361	694.6086	354.8902	941.8879	933.2700	509.6021	632.4409	479.5853	473.9972	515.6868	468.0254	422.2316	281.2900	738.1063	583.6417	507.9409	444.3403	276.3085	3.1420	1.9206	438.7328	335.8622	242.0928	849.9519	175.3468	264.5778	278.0036	463.5710	254.3234	274.5912	336.9865	318.8026	275.6131	211.1308	268.9179	158.8833	545.6675	330.4538	642.3560	194.8226	584.3417	294.3711	562.2984	476.5940	524.3951	4.6131	145.9772	177.5268	184.3226	210.7990	71.5471	519.9328	326.6395	444.5013	447.9899	257.9144	320.6665	443.6072	774.6203	43.3573	111.3934	37.2270	247.6005	277.4238	445.1771	356.4138	327.3609	303.3883	131.8175	156.8315	251.3403	855.0517	859.0184	1173.9327	1016.8489	1009.7346	555.8882
GABA	0.1233		0.1494	0.1557	0.2378		0.0012	0.0071	0.0285	0.0001		0.0047	0.0083	0.0336	0.0091			0.0076					0.0129			0.0489	0.0414	0.0715	0.0070	0.0113	0.0260	0.0174		0.0124		1.5507	0.0458		0.0129	0.0471	0.0091		0.0078		0.0058	0.0074	0.0098		0.0184	0.0056	0.0196		0.0074				0.0324	0.0305	0.0035	0.0294	0.0071	0.0031	0.2126	0.0108				0.0010		0.0000	0.0002	0.2373	0.4760	0.2328	3.4265	0.2923	0.0456	0.0653	0.0278	0.0378	0.0110	0.0714		1.3609		0.0746			0.0018								0.0071			0.0002	0.0412	0.0046
Glucose	337.9474	264.4619	268.8487	361.5921	457.3192	698.5004	482.6345	291.9673	567.3497	273.8479	235.2307	406.7864	316.8878	195.0281	476.3937	239.1579	633.0883	559.3031	475.6590	335.3760	472.6322	198.3582	330.8496	304.5487	544.3450	528.5327	556.2630	281.7073	743.5014	700.9625	379.4281	447.9433	379.4348	362.9695	381.6478	366.4713	357.9040	196.3108	562.7690	448.7962	379.6556	329.6725	201.3314	2.9037	2.8383	293.5957	221.9291	192.9495	570.9220	107.0519	179.6540	193.6185	315.9444	170.1299	185.1895	227.1209	206.0678	191.8944	140.9096	172.2987	102.6532	405.8165	234.7810	484.4552	137.2817	411.1144	198.8627	378.9996	335.6792	366.4213	3.9314	119.1410	137.5299	151.7855	142.7322	57.6699	405.3692	229.3840	323.5888	312.4176	186.0914	207.5384	297.4762	601.1266	26.1758	75.8237	23.5583	176.8231	169.5989	357.9838	278.9259	248.1216	231.2768	90.9458	114.8902	203.0378	670.7958	668.4449	973.4393	860.5116	807.5995	410.1746
H	0.1083	0.1892	0.0849	0.1458	0.1131	0.0791	0.0389	0.0346	0.1250	0.0152	0.0015	0.0278	0.0228	0.0048	0.0258	0.0666	0.0994	0.2785	0.0918	0.0456	0.0547	0.0982	0.0821	0.1066	0.0686	0.1213	0.0656	0.1663	0.1205	0.1350	0.0194	0.1363	0.0550	0.0487	0.0289	0.0574	0.0070	0.0042	0.0337	0.0225	0.0354	0.0235	0.0095	0.0044	0.0122	0.0741	0.0957	0.0208	0.0745	0.0037	0.0453	0.0118	0.0141	0.0073	0.0015	0.0166	0.0675	0.0014	0.0013	0.0049	0.0028	0.0431	0.0052	0.0130	0.0026	0.0555	0.0514	0.0568	0.0095	0.0169	0.0134	0.0012	0.0017	0.2260	2.0994	0.0322	0.0697	0.1020	0.0650	0.0781	0.0232	0.1462	0.0375	0.1135	0.0703	0.7327	0.0558	0.0721	0.2151	0.1787	0.2125	0.0452	0.1195	0.0752	0.4082	0.1909	0.5978	0.1081	0.1933	0.1676	0.2018	0.0551
I						0.0284				0.0474	0.0474	0.0431	0.0368	0.0247	0.0267																				0.0587	0.0242	0.0809				0.0270	0.0514	0.0364	0.0896	0.1020	0.1069	0.0263		0.1257	0.0707	0.0897	0.1043	0.1402	0.1254	0.1095	0.0810	0.0846	0.1192	0.0744	0.1060	0.0611		0.2483	0.0292				0.0354	0.0405	0.0370	0.1090	0.2722	0.2921	0.2428	6.0829	0.5599	0.1015	0.0911	0.0939	0.0212	0.1080	0.2146	0.0906	0.1028		0.8144			0.1090							0.0204						
K	0.0879	0.0977	0.0931	0.0842	0.2571	0.1183	0.1208	0.1167	0.1760	0.1038	0.0590	0.0507	0.1043	0.1343	0.0722	0.0877	0.1285	0.2101	0.1728	0.1205	0.2000	0.1149	0.1017	0.1247	0.1153	0.1547	0.1850	0.2260	0.1043	0.1688	0.0750	0.1026	0.0796	0.1072	0.1343	0.0928	0.1029	0.0662	0.0512	0.0680	0.1199	0.0926	0.1145	0.1111	0.1632	0.0850	0.1510	0.1064	0.1755	0.1150	0.0833	0.0813	0.0735	0.0781	0.0676	0.0873	0.1572	0.1021	0.1066	0.1450	0.1580	0.1095	0.2212	0.1086	0.0821	0.0898	0.0789	0.0881	0.0830	0.0924	0.0521	0.2000	0.5832	0.7068	0.1544	0.1281	0.1438	0.2446	0.1605	0.1643	0.1275	0.6925	0.0876	0.3445	0.1526	4.9607	0.1494	0.1433	0.1748	0.1389	0.1969	0.1301	0.1461	0.1258	0.2483	0.1909	0.2139	0.1064	0.1479	0.1407	0.1130	0.0926
L		0.0402		0.0333	0.0473	0.0320		0.0359	0.0448						0.0286		0.0298	0.0250			0.0288		0.0226	0.0486	0.0244	0.0216	0.0334	0.0447					0.0297	0.0312	0.0362	0.0334	0.0301				0.0244	0.0378						0.0226						0.0275			0.0256		0.0294				0.0503	0.0251					0.0294				0.1275	0.0787	3.1182	0.0517	0.0405	0.0720	0.0488	0.0465	0.0281	0.1571		0.0720		1.0038	0.0294			0.0283	0.0571			0.0234	0.0216	0.0240			0.0360			
M																																																												0.0007			0.0007								0.0006	0.0144	0.0410	0.0175	1.4855			0.0082	0.0018			0.0164		0.0214		0.3439						0.0008										
mannitol	178.1827	132.0509	222.7392	193.4913	1011.7980	45.3213	27.6250	0.1298	0.9862	4.2530	12.8242	24.6378	92.5915	44.5585	295.5574	2.0856	6.4048	102.2101	19.9420	178.4884	165.8900	306.6874	180.5850	1040.2838	286.1059	279.3935	445.0413	658.7532	72.7907	230.1697	370.0799	438.8072	876.1264	1234.4984	1079.2441	1578.8187	1386.4829	96.7991	255.7760	489.4363	444.0274	545.8320	1180.3230	1395.6319	978.8998	1.2999	0.4842	1.3372	4.6114	0.0454	0.7561	54.8570	188.3017	157.3946	59.9953	77.5603	583.6704	1350.6318	820.8193	560.1881	1753.8025	637.4044	1524.9792	1.6559	23.4009	47.6626	26.6075	792.1301	549.6119	503.7552	1109.1746	2243.2432	2070.1913	1874.3260	1250.5110	2126.0959	918.3115	324.1658	382.5083	616.9037	634.4301	765.7045	598.6870	1508.3379	1.8759	21.8575	0.6450	17.1627	216.2400	199.6732	40.1122	308.2204	506.5423	804.4902	103.7946	127.9838	11.1561	6.8815	21.4758	167.7092	1191.8448	82.5585
N			0.0030										0.0018				0.0033	0.0031	0.0038						0.0030			0.0057			0.0025	0.0023									0.0168	0.0025	0.0020						0.0022			0.0024								0.0026		0.0028	0.0080	0.0024		0.0052					0.0022	0.0070	0.0283	0.0126			0.0025				0.0023	0.0026	0.0059	0.0105			0.0024	0.0020		0.0030	0.0032			0.0036	0.0072		0.0017					0.0032
P	0.3110	0.1210	0.2730	0.2456	0.5023	0.1157	0.0201	0.0145	0.0474	0.0036	0.0053	0.1668	0.1099	0.1855	0.2239	0.0064	0.0357	0.0719	0.0680	0.0463	0.0233	0.0289	0.0251	0.5384	0.0871	0.1133	0.1255	0.1308		0.0711	0.0341	0.0303	0.1218	0.2048	0.1487	0.1713	0.1298	0.0556	0.1425	0.2127	0.2260	0.1683	0.4557	0.1559	0.0275	0.0847	0.0269	0.0023	0.0271	0.0304	0.0595	0.0116	0.0407	0.0484	0.0101	0.0107	0.0439	0.1304	0.0241	0.0623	0.2289	0.0321	0.1826	0.0809	0.0159	0.0038	0.0056	0.0282	0.0143	0.0145	0.1139	0.4040	0.5903	0.3013	9.0545	0.0486	0.6165	0.2906	0.2528	0.4982	0.0952	0.1119	0.0100	0.5763	0.0246	0.2874	0.0389	0.0275	0.0423	0.0301	0.0616	0.0273	0.0557	0.0267	0.0119	0.0310	0.0138		0.0690	0.0178	0.1372	0.0163
Q	0.0547	0.1585	0.5148	0.1801	0.0225	0.0016	0.0031	0.0049	0.0103		0.0147	0.0014		0.0023	0.0037						0.0026	0.0021	0.4755	0.0455	0.0053	0.0018	0.0019	0.0047	0.0335	0.0019		0.0028		0.0018		0.0082	0.0085	0.1089	0.0259	0.0012	0.2188	0.2261	0.0075		0.0023	0.0174	0.0018	0.0015	0.0117	0.0018	0.0126	0.0028	0.0017				0.0040	0.0037	0.0017	0.0093	0.0056	0.0065	0.0054	0.0018	0.0019	0.0033	0.0789	0.0032	0.0017		0.0061	0.0635	0.0990	0.0674	0.7292	0.3529	0.0088	0.0149	0.0136		0.3119	1.7570	0.5082	0.1980	0.0927	0.5682	0.0199		0.0020			0.0028	0.0181	0.0224			0.1103	0.0021			0.0024	
R	0.6495	1.9636	0.6713	0.5068	0.6418	0.2255	0.2029	0.1905	0.4705	0.1267	0.0831	0.1300	0.1262	0.1118	0.1367	0.3126	0.3207	0.8912	0.2912	0.3638	0.3124	0.2738	0.3247	0.5769	0.2899	0.3522	0.4853	1.0249	0.3023	0.8785	0.2546	0.3590	0.1882	0.2187	0.2934	0.2525	0.2585	0.1128	0.2065	0.4011	0.2450	0.2527	0.3008	0.3660	0.5746	0.2269	0.6570	0.1414	0.4206	0.1634	0.2343	0.1742	0.1650	0.1229	0.1308	0.1476	0.4068	0.0995	0.1507	0.1470	0.2794	0.0838	0.2225	0.1462	0.1203	0.1323	0.2987	0.1498	0.0947	0.1235	0.1637	1.7840	2.4306	1.0959	0.6267	0.4655	0.4416	0.4244	0.3863	0.3441	0.3490	1.0366	0.3143	1.0542	0.3356	4.2449	0.3251	0.3513	0.7490	0.5004	0.6449	0.4028	0.5016	0.5162	0.9325	0.8151	1.0514	0.2879	0.3267	0.4479	0.3279	0.2331
Raffinose	0.1370		1.9645		2.6324	3.3559	4.6567	0.1918	3.2112	3.7242	2.2630		0.3692	2.1910	0.1435	8.4111	10.2193	0.1629	0.1191	0.1499	4.2232	0.1565	1.6919	2.5195	4.2837	6.9033	6.1752	3.0423		0.1231	0.2807	10.7569	0.1507	2.9835		3.5351	2.9709	3.5546	0.2055		7.6088	5.8229	1.8734	1.5064	2.2263	2.7530	3.0623	2.3518	6.2045	1.8951	1.7294	3.9182	5.6861	3.9354	3.1049		0.6044	0.5667	1.0727		0.5971	0.5297	0.9174		4.0169	0.2503	5.2478	6.6130	2.0600	2.5474	0.5054	4.2148	1.7161	1.6110	0.2940	3.9376	3.3707	2.7182	0.2404	0.1552	3.5694	4.8888	8.7085	4.1172	3.0008	2.0855	2.0005	2.1035	3.9696	4.3777	1.5365	2.5139	1.9803	1.0915	6.8188	6.6373	0.3001			24.0922	19.3921	1.4674
S			1.2602																																						1.2822																																		1.5400									1.2920		1.7385			1.2709													
Sucrose	434.7494	456.1256	321.9556	280.1915	3.8054	18.4340	403.2396	458.3728	54.9186	498.5580	548.2506	330.7054	333.0604	458.6710	8.5722	402.9857	124.4567	37.4153	5.9412	147.6941	4.7930	71.4761	1.3848	25.5244	6.0737	211.5047	101.3323	0.8021	497.6049	250.2636	324.8475	310.6755	208.3378	114.6515	5.5924	4.1752	0.8713	475.8211	47.7654	4.0332	4.1534	3.7982	1.6982	-1.8082	14.2389	442.2436	507.2960	479.9368	306.6673	503.7465	410.5650	355.6233	459.7353	353.0383	331.1012	219.9213	2.4581	0.6055	-0.0158	2.5695	-0.2080	2.7535	-0.3039	252.7741	498.5339	269.5943	438.0580	29.5257	3.7958	2.3051	0.3517	13.1076	0.2607	0.4652	1.5292	0.4583	5.1535	9.3163	4.3542	14.0451	15.0893	17.9140	67.3841	0.3112	643.1600	494.2545	529.6600	473.4836	431.9334	320.4411	127.0781	177.5814	14.6758	2.3191	573.2229	449.2899	495.7400	483.6101	30.5766	21.0524	34.4594	4.0073
T	0.0359	0.1182	0.2597	0.3465	0.1864	0.3603	0.0278	0.0761	0.2671	0.4203	0.0696	0.1843	0.1460	0.0266	0.1071	0.0069	0.1608	0.1158	0.0057	0.0941	0.0797	0.0935	0.0070	0.0397	0.0862	0.4304	0.2978	0.0987	0.4693	0.2104	0.1747	0.3316	0.1968	0.3849	0.1276	0.1901	0.3757	0.1061	0.0829	0.2175	0.0906	0.2125	0.0944	0.0052	0.0044	0.0202	0.0757	0.0130	0.0111	0.0035	0.0176	0.0355	0.1331	0.1366	0.0965	0.0241	0.0764	0.1639	0.0332	0.0939	0.1171	0.2514	0.2883	0.5194	0.0194	0.1963	0.0224	0.1794	0.1833	0.1809	0.0095	0.2612	0.2773	0.2793	1.9769	0.1732	0.3312	0.1486	0.1214	0.0608	0.0066	0.1424	0.1468	0.3856	0.0269	0.8957	0.0513	0.0067	0.0944	0.0595	0.1188	0.0488	0.0160	0.0066	0.0478	0.0403	0.0416	0.1691	0.2417	0.1098	0.3242	0.0536
trigonoline	0.0856		0.0260	0.0670	0.0541	0.0400	0.1128	0.0449	0.0802			0.0020			0.0318				0.0332	0.0627		0.2456	0.1058	0.3413		0.0288	0.0205	0.1296		0.0431	0.0541	0.0620	0.1439	0.1847	0.2253	0.3586	0.3739				0.0436	0.0427		0.1474	0.0451				0.2444		0.0387	0.2483	0.3412	0.2924	0.2570	0.2219	0.2819	0.3599	0.3062	0.3091	0.0780		0.6898					0.0011	0.0184	0.0616	0.1087	0.3767	0.3957	0.3470	2.2174	0.5271	0.1632	0.0695	0.0109		0.1946	0.2225	0.2716	1.0217					0.0059			0.1952	0.2914	0.3692	0.0175						0.2309	
W				0.0275																0.0254																			0.0254							0.0259																		0.0273								0.0682	0.0829	0.0604	1.3770	0.2081		0.0284				0.0544				0.3385	0.0254														0.0260	
Y																																																												0.1367												0.1376	0.1487	0.1559	0.6506											0.5251
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
A	5950		C00041			5.3		90.054955	
cadaverine	273		C01672			7.61		103.122975	
choline	305		C00114			2.54		104.1069906	
D	5960		C00049			6.64		134.0447842	
E	33032		C00025			6.2		148.0604343	
F	6140		C00079			3.56		166.0862552	
Fructose	2723872		C00095			4.3		203.0526093	
GABA	119		C00334			5.07		104.0706051	
Glucose	5793		C00031			3.81		203.0526093	
H	6274		C00135			7.01		156.0767531	
I	6306		C00407			3.91		132.1019052	
K	5962		C00047			7.48		147.1128042	
L	6106		C00123			3.73		132.1019052	
M	6137		C00073			4.12		150.0583259	
mannitol			C00392			4.24		205.0682593	
N	6267		C00152			5.74		133.060768	
P	145742		C00148			4.44		116.0706051	
Q	5961		C00064			5.74		147.0764187	
R	6322		C00062			7.28		175.1189522	
Raffinose	439242		C00492			6.61		527.1582559	
S	5951		C00065			5.78		106.0498696	
Sucrose			C00089			5.25		365.1054326	
T	6288		C00188			5.34		120.0655197	
trigonoline			C01004			3.97		138.054955	
W	6305		C00078			3.81		205.0971542	
Y	6057		C00082			4.49		182.0811698	
METABOLITES_END
#END