#METABOLOMICS WORKBENCH hormel101_20160715_082310_mwtab.txt DATATRACK_ID:679 STUDY_ID:ST000421 ANALYSIS_ID:AN000665 PROJECT_ID:PR000330
VERSION             	1
CREATED_ON             	July 18, 2016, 9:14 am
#PROJECT
PR:PROJECT_TITLE                 	Impact of Long-Term Poor and Good Glycemic Control on Metabolomics Alterations
PR:PROJECT_TITLE                 	in Type 1 Diabetic People.
PR:PROJECT_TYPE                  	Untargeted LC-MS Metabolomics
PR:PROJECT_SUMMARY               	The objective of the study was to determine whether T1D with good glycemic
PR:PROJECT_SUMMARY               	control have persistent abnormalities of metabolites and pathways that exist in
PR:PROJECT_SUMMARY               	T1D with poor glycemic control.
PR:INSTITUTE                     	Mayo Clinic
PR:DEPARTMENT                    	Endocrinology
PR:LABORATORY                    	Mayo Clinic Metabolomics Resource Core
PR:LAST_NAME                     	Nair
PR:FIRST_NAME                    	Sreekumaran
PR:ADDRESS                       	200 First Street SW, Rochester, MN 55905
PR:EMAIL                         	Nair.K@mayo.edu
PR:PHONE                         	507-285-2415
#STUDY
ST:STUDY_TITLE                   	ms3076 T1D poor glycemic control and control samples
ST:STUDY_TYPE                    	Plasma metabolites in T1 diabetes
ST:STUDY_SUMMARY                 	The objective of the study was to determine whether T1D with good glycemic
ST:STUDY_SUMMARY                 	control have persistent abnormalities of metabolites and pathways that exist in
ST:STUDY_SUMMARY                 	T1D with poor glycemic control.
ST:INSTITUTE                     	Mayo Clinic
ST:DEPARTMENT                    	Endocrinology
ST:LABORATORY                    	Mayo Clinic Metabolomics Resource Core
ST:LAST_NAME                     	Nair
ST:FIRST_NAME                    	Sreekumaran
ST:ADDRESS                       	200 First Street SW, Rochester, MN 55905
ST:EMAIL                         	Nair.K@mayo.edu
ST:PHONE                         	507-285-2415
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	T1D_S16	21mar12_22-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S16	21mar12_22-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S16	13jan12_50-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S16	13jan12_50-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S17	21mar12_23-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S17	21mar12_23-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S17	21mar12_24-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S17	21mar12_24-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S18	21mar12_25-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S18	21mar12_25-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S18	21mar12_26-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S18	21mar12_26-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S19	21mar12_27-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S19	21mar12_27-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S19	13jan12_51-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S19	13jan12_51-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S20	21mar12_28-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S20	21mar12_28-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S20	21mar12_38-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S20	21mar12_38-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S21	21mar12_39-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S21	21mar12_39-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S21	21mar12_40-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S21	21mar12_40-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S22	21mar12_41-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S22	21mar12_41-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S22	21mar12_42-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S22	21mar12_42-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S23	21mar12_43-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S23	21mar12_43-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S23	21mar12_44-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S23	21mar12_44-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S24	21mar12_45-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S24	21mar12_45-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S24	13jan12_53-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S24	13jan12_53-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S25	21mar12_46-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S25	21mar12_46-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S25	13jan12_54-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S25	13jan12_54-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S26	21mar12_56-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S26	21mar12_56-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S26	21mar12_57-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S26	21mar12_57-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S27	21mar12_13-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S27	21mar12_13-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S27	13jan12_55-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S27	13jan12_55-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S28	21mar12_14-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S28	21mar12_14-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S28	13jan12_56-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S28	13jan12_56-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S29	21mar12_15-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S29	21mar12_15-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S29	13jan12_57-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S29	13jan12_57-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S16	23mar12_22-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S16	23mar12_22-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S16	09feb12_50-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S16	09feb12_50-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S17	23mar12_23-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S17	23mar12_23-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S17	23mar12_24-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S17	23mar12_24-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S18	23mar12_25-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S18	23mar12_25-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S18	23mar12_26-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S18	23mar12_26-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S19	23mar12_27-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S19	23mar12_27-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S19	09feb12_51-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S19	09feb12_51-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S20	23mar12_28-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S20	23mar12_28-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S20	23mar12_38-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S20	23mar12_38-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S21	23mar12_39-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S21	23mar12_39-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S21	23mar12_40-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S21	23mar12_40-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S22	23mar12_41-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S22	23mar12_41-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S22	23mar12_42-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S22	23mar12_42-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S23	23mar12_43-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S23	23mar12_43-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S23	23mar12_44-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S23	23mar12_44-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S24	23mar12_45-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S24	23mar12_45-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S24	09feb12_53-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S24	09feb12_53-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S25	23mar12_46-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S25	23mar12_46-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S25	09feb12_54-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S25	09feb12_54-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S26	23mar12_56-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S26	23mar12_56-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S26	23mar12_57-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S26	23mar12_57-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S27	23mar12_13-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S27	23mar12_13-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S27	09feb12_55-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S27	09feb12_55-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S28	23mar12_14-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S28	23mar12_14-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S28	09feb12_56-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S28	09feb12_56-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S29	23mar12_15-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S29	23mar12_15-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S29	09feb12_57-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	ND_S29	09feb12_57-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=hilic
SUBJECT_SAMPLE_FACTORS           	T1D_S16	26mar12_22-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S16	26mar12_22-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S16	16feb12_50-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S17	26mar12_23-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S17	26mar12_23-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S17	26mar12_24-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S17	26mar12_24-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S18	26mar12_25-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S18	26mar12_25-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S18	26mar12_26-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S18	26mar12_26-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S19	26mar12_27-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S19	26mar12_27-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S19	16feb12_51-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S19	16feb12_51-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S20	26mar12_28-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S20	26mar12_28-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S20	26mar12_38-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S20	26mar12_38-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S21	26mar12_39-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S21	26mar12_39-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S21	26mar12_40-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S21	26mar12_40-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S22	26mar12_41-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S22	26mar12_41-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S22	26mar12_42-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S22	26mar12_42-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S23	26mar12_43-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S23	26mar12_43-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S23	26mar12_44-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S23	26mar12_44-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S24	26mar12_45-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S24	26mar12_45-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S24	16feb12_53-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S24	16feb12_53-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S25	26mar12_46-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S25	26mar12_46-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S25	16feb12_54-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S25	16feb12_54-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S26	26mar12_56-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S26	26mar12_56-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S26	26mar12_57-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S26	26mar12_57-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S27	26mar12_13-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S27	26mar12_13-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S27	16feb12_55-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S27	16feb12_55-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S28	26mar12_14-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S28	26mar12_14-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S28	16feb12_56-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S28	16feb12_56-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S29	26mar12_15-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S29	26mar12_15-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S29	16feb12_57-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S29	16feb12_57-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=positive; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S16	27mar12_22-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S16	27mar12_22-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S16	14feb12_50-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S16	14feb12_50-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S17	27mar12_23-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S17	27mar12_23-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S17	27mar12_24-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S17	27mar12_24-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S18	27mar12_25-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S18	27mar12_25-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S18	27mar12_26-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S18	27mar12_26-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S19	27mar12_27-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S19	27mar12_27-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S19	14feb12_51-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S19	14feb12_51-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S20	27mar12_28-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S20	27mar12_28-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S20	27mar12_38-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S20	27mar12_38-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S21	27mar12_39-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S21	27mar12_39-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S21	27mar12_40-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S21	27mar12_40-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S22	27mar12_41-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S22	27mar12_41-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S22	27mar12_42-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S22	27mar12_42-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S23	27mar12_43-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S23	27mar12_43-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S23	27mar12_44-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S24	27mar12_45-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S24	27mar12_45-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S24	14feb12_53-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S24	14feb12_53-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S25	27mar12_46-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S25	27mar12_46-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S25	14feb12_54-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S25	14feb12_54-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S26	27mar12_56-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S26	27mar12_56-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S26	27mar12_57-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S26	27mar12_57-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S27	27mar12_13-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S27	27mar12_13-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S27	14feb12_55-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S27	14feb12_55-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S28	27mar12_14-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S28	27mar12_14-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S28	14feb12_56-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S28	14feb12_56-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S29	27mar12_15-r001.d	treatment:T1D poor glycemic control	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	T1D_S29	27mar12_15-r002.d	treatment:T1D poor glycemic control	study=ms3076; rep=2; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S29	14feb12_57-r001.d	treatment:ND	study=ms3076; rep=1; Ionization=negative; Separation=C18
SUBJECT_SAMPLE_FACTORS           	ND_S29	14feb12_57-r002.d	treatment:ND	study=ms3076; rep=2; Ionization=negative; Separation=C18
#COLLECTION
CO:COLLECTION_SUMMARY            	At 5:00 AM after an overnight fast, baseline blood samples were collected from
CO:COLLECTION_SUMMARY            	study participants. Plasma samples were stored at 80°C until analysis.
CO:SAMPLE_TYPE                   	Blood. Plasma was isolated for MS analysis.
#TREATMENT
TR:TREATMENT_SUMMARY             	Participants were admitted to the Clinical Research Unit at St Mary’s Hospital
TR:TREATMENT_SUMMARY             	(Rochester, Minnesota) the evening before the study and spent overnight in the
TR:TREATMENT_SUMMARY             	Clinical Research Unit. The participants were given a standard meal on the
TR:TREATMENT_SUMMARY             	evening of the admission after which they fasted overnight. Participants with
TR:TREATMENT_SUMMARY             	T1D were treated with insulin as per their usual individual programs. At 5:00 AM
TR:TREATMENT_SUMMARY             	after an overnight fast, baseline blood samples were collected from study
TR:TREATMENT_SUMMARY             	participants. Plasma samples were stored at 80°C until analysis.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Plasma quality-control samples used in the study were prepared from pooled
SP:SAMPLEPREP_SUMMARY            	plasma spiked with a selection of metabolites to mimic elevated levels of
SP:SAMPLEPREP_SUMMARY            	metabolites during I− (insulin withdrawn) condition. Plasma was spiked with a
SP:SAMPLEPREP_SUMMARY            	standard mixture (3:1 ratio of plasma to spiking solution) containing 100 μg/mL
SP:SAMPLEPREP_SUMMARY            	niacin, hypoxanthine, leucine, isoleucine, phenylalanine, tryptophan, citric
SP:SAMPLEPREP_SUMMARY            	acid, glucose, hippuric acid, and taurocholic acid dissolved in 1:1
SP:SAMPLEPREP_SUMMARY            	acetonitrile/water. All plasma samples (200 μL) were thawed on ice at 4°C
SP:SAMPLEPREP_SUMMARY            	followed by deproteinization with methanol (1:4 ratio of plasma to methanol) and
SP:SAMPLEPREP_SUMMARY            	vortexed for 10 s, followed by incubation at −20°C for 2 h. The samples were
SP:SAMPLEPREP_SUMMARY            	then centrifuged at 15,871g for 30 min at 4°C. The supernatants were
SP:SAMPLEPREP_SUMMARY            	lyophilized (Savant, Holbrook, NY) and stored at −20°C prior to analysis. The
SP:SAMPLEPREP_SUMMARY            	samples were reconstituted in 50% H2O/acetonitrile and passed through a Microcon
SP:SAMPLEPREP_SUMMARY            	YM3 filter (Millipore Corporation). The supernatants were transferred to
SP:SAMPLEPREP_SUMMARY            	analytical vials, stored in the autosampler at 4°C, and analyzed within 48 h of
SP:SAMPLEPREP_SUMMARY            	reconstitution in buffer.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	The liquid chromatography platform consisted of an Acquity UPLC system (Waters,
CH:CHROMATOGRAPHY_SUMMARY        	Milford, MA). Plasma metabolite separation was achieved using both hydrophilic
CH:CHROMATOGRAPHY_SUMMARY        	interaction chromatography (ethylene-bridged hybrid 2.1 × 150 mm, 1.7 μm;
CH:CHROMATOGRAPHY_SUMMARY        	Waters) and reversed-phase liquid chromatography C18 (high-strength silica 2.1
CH:CHROMATOGRAPHY_SUMMARY        	× 150 mm, 1.8 μm; Waters). For each column, the run time was 20 min at a flow
CH:CHROMATOGRAPHY_SUMMARY        	rate of 400 μL/min. Reverse-phase chromatography was performed using 99%
CH:CHROMATOGRAPHY_SUMMARY        	solvent A (5 mmol/L NH4 acetate, 0.1% formic acid, and 1% acetonitrile) to 100%
CH:CHROMATOGRAPHY_SUMMARY        	solvent B (95% acetonitrile with 0.1% formic acid). The gradient was 0 min, 0%
CH:CHROMATOGRAPHY_SUMMARY        	B; 1 min, 0% B; 3 min, 5% B; 13.0 min, 100% B; 16 min, 100% B; 16.5 min, 0% B;
CH:CHROMATOGRAPHY_SUMMARY        	and 20 min, 0% B. Other LC parameters were injection volume 5 μL and column
CH:CHROMATOGRAPHY_SUMMARY        	temperature 50°C. Each sample was injected in triplicate with blank injections
CH:CHROMATOGRAPHY_SUMMARY        	between each sample. Quality controls and standards were run at the beginning
CH:CHROMATOGRAPHY_SUMMARY        	and end of the sequence.
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Agilent 6220
CH:COLUMN_NAME                   	None
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Agilent 6220 TOF
MS:INSTRUMENT_TYPE               	TOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:CAPILLARY_TEMPERATURE         	300°C
MS:CAPILLARY_VOLTAGE             	3.5 kV
MS:FRAGMENT_VOLTAGE              	150 V
MS:MASS_ACCURACY                 	<5 parts per million and ~20000 respectively
MS:NEBULIZER                     	nebulizer gas 325°C
MS:OCTPOLE_VOLTAGE               	250 V
MS:SCAN_RANGE_MOVERZ             	50-1200
MS:SCANNING_CYCLE                	0.5 s
MS:SKIMMER_VOLTAGE               	58 V
MS:MS_RESULTS_FILE               	ST000421_AN000665_Results.txt	UNITS:intensity	Has m/z:Yes	Has RT:Yes
#END