Sample Name	Protocol REF	Extract Name	Protocol REF	Parameter Value[kit name]	Parameter Value[plate ID]	Parameter Value[plate position]	Parameter Value[mass spectrometry instrument]	Term Source REF	Term Accession Number	Parameter Value[acquisition parameter file]	Parameter Value[inlet type]	Term Source REF	Term Accession Number	Parameter Value[polarity]	Term Source REF	Term Accession Number	Parameter Value[run number]	Parameter Value[injection number]	Date	MS Assay Name	Raw Spectral Data File	Protocol REF	Parameter Value[software]	Data Transformation Name	Derived Spectral Data File	
WTC-5	"extraction/derivatization"	"WTC-5"	"PG02-0-1"	"not reported"	"809565"	"33"	"none reported"			"PG02_QTrap5500_A1B1_2011-06-06.dam"	"liquid chromatography separation"	"PSI-MS"	"http://purl.obolibrary.org/obo/MS_1002271"	"negative scan"	"PSI-MS"	"http://purl.obolibrary.org/obo/MS_1000129"	"1"	"1"	"2015-07-21"	"PG02-0-1_809565_33_1_1_SAMPLE_746801_WTC-5"	"PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_33_0_1_1_00_746801.wiff"	"biocrates analysis"	"MetIQ_5.8.0-DB100-Boron-2644-DB100-2644"	"m_MTBLSXXX_PG02-0-1_809565"	"m_MTBLSXXX_PG02-0-1_809565_negative_maf.txt"
WTC-4	"extraction/derivatization"	"WTC-4"	"PG02-0-1"	"not reported"	"809565"	"21"	"none reported"			"PG02_QTrap5500_A1B1_2011-06-06.dam"	"liquid chromatography separation"	"PSI-MS"	"http://purl.obolibrary.org/obo/MS_1002271"	"negative scan"	"PSI-MS"	"http://purl.obolibrary.org/obo/MS_1000129"	"1"	"1"	"2015-07-21"	"PG02-0-1_809565_21_1_1_SAMPLE_746792_WTC-4"	"PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_21_0_1_1_00_746792.wiff"	"biocrates analysis"	"MetIQ_5.8.0-DB100-Boron-2644-DB100-2644"	"m_MTBLSXXX_PG02-0-1_809565"	"m_MTBLSXXX_PG02-0-1_809565_negative_maf.txt"
WTC-1	"extraction/derivatization"	"WTC-1"	"PG02-0-1"	"not reported"	"809565"	"80"	"none reported"			"PG02_QTrap5500_A1B1_2011-06-06.dam"	"liquid chromatography separation"	"PSI-MS"	"http://purl.obolibrary.org/obo/MS_1002271"	"negative scan"	"PSI-MS"	"http://purl.obolibrary.org/obo/MS_1000129"	"1"	"1"	"2015-07-21"	"PG02-0-1_809565_80_1_1_SAMPLE_755132_WTC-1"	"PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_80_0_1_1_00_755132.wiff"	"biocrates analysis"	"MetIQ_5.8.0-DB100-Boron-2644-DB100-2644"	"m_MTBLSXXX_PG02-0-1_809565"	"m_MTBLSXXX_PG02-0-1_809565_negative_maf.txt"
WTC-3	"extraction/derivatization"	"WTC-3"	"PG02-0-1"	"not reported"	"809565"	"9"	"none reported"			"PG02_QTrap5500_A1B1_2011-06-06.dam"	"liquid chromatography separation"	"PSI-MS"	"http://purl.obolibrary.org/obo/MS_1002271"	"negative scan"	"PSI-MS"	"http://purl.obolibrary.org/obo/MS_1000129"	"1"	"1"	"2015-07-21"	"PG02-0-1_809565_9_1_1_SAMPLE_746789_WTC-3"	"PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_09_0_1_1_00_746789.wiff"	"biocrates analysis"	"MetIQ_5.8.0-DB100-Boron-2644-DB100-2644"	"m_MTBLSXXX_PG02-0-1_809565"	"m_MTBLSXXX_PG02-0-1_809565_negative_maf.txt"
WTC-2	"extraction/derivatization"	"WTC-2"	"PG02-0-1"	"not reported"	"809565"	"92"	"none reported"			"PG02_QTrap5500_A1B1_2011-06-06.dam"	"liquid chromatography separation"	"PSI-MS"	"http://purl.obolibrary.org/obo/MS_1002271"	"negative scan"	"PSI-MS"	"http://purl.obolibrary.org/obo/MS_1000129"	"1"	"1"	"2015-07-21"	"PG02-0-1_809565_92_1_1_SAMPLE_755146_WTC-2"	"PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_92_0_1_1_00_755146.wiff"	"biocrates analysis"	"MetIQ_5.8.0-DB100-Boron-2644-DB100-2644"	"m_MTBLSXXX_PG02-0-1_809565"	"m_MTBLSXXX_PG02-0-1_809565_negative_maf.txt"
WTC-6	"extraction/derivatization"	"WTC-6"	"PG02-0-1"	"not reported"	"809565"	"45"	"none reported"			"PG02_QTrap5500_A1B1_2011-06-06.dam"	"liquid chromatography separation"	"PSI-MS"	"http://purl.obolibrary.org/obo/MS_1002271"	"negative scan"	"PSI-MS"	"http://purl.obolibrary.org/obo/MS_1000129"	"1"	"1"	"2015-07-21"	"PG02-0-1_809565_45_1_1_SAMPLE_746814_WTC-6"	"PG02-0-1\2015-07-17\dummy_neg_50µL\PG02-0-1_809565_45_0_1_1_00_746814.wiff"	"biocrates analysis"	"MetIQ_5.8.0-DB100-Boron-2644-DB100-2644"	"m_MTBLSXXX_PG02-0-1_809565"	"m_MTBLSXXX_PG02-0-1_809565_negative_maf.txt"
WTC-2	"extraction/derivatization"	"WTC-2"	"KIT3-0-5404"	"Biocrates p180 FIA Part"	"810685"	"19"	ABSciex4000er/4500er eclipse	http://purl.obolibrary.org/obo/MS_1000870	PSI-MSflow infusion acquisition	"KIT3-FIA_neg.dam"	"flow injection analysis"	"PSI-MS"	"http://purl.obolibrary.org/obo/MS_1000058"	"negative scan"	"PSI-MS"	"http://purl.obolibrary.org/obo/MS_1000129"	"1"	"1"	"2015-07-23"	"KIT3-0-5404_810685_19_1_1_SAMPLE_755146_WTC-2"	"KIT3-0-5404_810685_19_0_1_1_00_755146.wiff"	"biocrates analysis"	"MetIQ_5.8.0-DB100-Boron-2644-DB100-2644"	"m_MTBLSXXX_KIT3-0-5404_810685"	"m_MTBLSXXX_KIT3-0-5404_810685_negative_maf.txt"
WTC-5	"extraction/derivatization"	"WTC-5"	"KIT3-0-5404"	"Biocrates p180 FIA Part"	"810685"	"55"	ABSciex4000er/4500er eclipse	http://purl.obolibrary.org/obo/MS_1000870	PSI-MSflow infusion acquisition	"KIT3-FIA_neg.dam"	"flow injection analysis"	"PSI-MS"	"http://purl.obolibrary.org/obo/MS_1000058"	"negative scan"	"PSI-MS"	"http://purl.obolibrary.org/obo/MS_1000129"	"1"	"1"	"2015-07-23"	"KIT3-0-5404_810685_55_1_1_SAMPLE_746801_WTC-5"	"KIT3-0-5404_810685_55_0_1_1_00_746801.wiff"	"biocrates analysis"	"MetIQ_5.8.0-DB100-Boron-2644-DB100-2644"	"m_MTBLSXXX_KIT3-0-5404_810685"	"m_MTBLSXXX_KIT3-0-5404_810685_negative_maf.txt"
WTC-6	"extraction/derivatization"	"WTC-6"	"KIT3-0-5404"	"Biocrates p180 FIA Part"	"810685"	"67"	ABSciex4000er/4500er eclipse	http://purl.obolibrary.org/obo/MS_1000870	PSI-MSflow infusion acquisition	"KIT3-FIA_neg.dam"	"flow injection analysis"	"PSI-MS"	"http://purl.obolibrary.org/obo/MS_1000058"	"negative scan"	"PSI-MS"	"http://purl.obolibrary.org/obo/MS_1000129"	"1"	"1"	"2015-07-23"	"KIT3-0-5404_810685_67_1_1_SAMPLE_746814_WTC-6"	"KIT3-0-5404_810685_67_0_1_1_00_746814.wiff"	"biocrates analysis"	"MetIQ_5.8.0-DB100-Boron-2644-DB100-2644"	"m_MTBLSXXX_KIT3-0-5404_810685"	"m_MTBLSXXX_KIT3-0-5404_810685_negative_maf.txt"
WTC-1	"extraction/derivatization"	"WTC-1"	"KIT3-0-5404"	"Biocrates p180 FIA Part"	"810685"	"7"	ABSciex4000er/4500er eclipse	http://purl.obolibrary.org/obo/MS_1000870	PSI-MSflow infusion acquisition	"KIT3-FIA_neg.dam"	"flow injection analysis"	"PSI-MS"	"http://purl.obolibrary.org/obo/MS_1000058"	"negative scan"	"PSI-MS"	"http://purl.obolibrary.org/obo/MS_1000129"	"1"	"1"	"2015-07-23"	"KIT3-0-5404_810685_7_1_1_SAMPLE_755132_WTC-1"	"KIT3-0-5404_810685_07_0_1_1_00_755132.wiff"	"biocrates analysis"	"MetIQ_5.8.0-DB100-Boron-2644-DB100-2644"	"m_MTBLSXXX_KIT3-0-5404_810685"	"m_MTBLSXXX_KIT3-0-5404_810685_negative_maf.txt"
WTC-4	"extraction/derivatization"	"WTC-4"	"KIT3-0-5404"	"Biocrates p180 FIA Part"	"810685"	"43"	ABSciex4000er/4500er eclipse	http://purl.obolibrary.org/obo/MS_1000870	PSI-MSflow infusion acquisition	"KIT3-FIA_neg.dam"	"flow injection analysis"	"PSI-MS"	"http://purl.obolibrary.org/obo/MS_1000058"	"negative scan"	"PSI-MS"	"http://purl.obolibrary.org/obo/MS_1000129"	"1"	"1"	"2015-07-23"	"KIT3-0-5404_810685_43_1_1_SAMPLE_746792_WTC-4"	"KIT3-0-5404_810685_43_0_1_1_00_746792.wiff"	"biocrates analysis"	"MetIQ_5.8.0-DB100-Boron-2644-DB100-2644"	"m_MTBLSXXX_KIT3-0-5404_810685"	"m_MTBLSXXX_KIT3-0-5404_810685_negative_maf.txt"
WTC-3	"extraction/derivatization"	"WTC-3"	"KIT3-0-5404"	"Biocrates p180 FIA Part"	"810685"	"31"	ABSciex4000er/4500er eclipse	http://purl.obolibrary.org/obo/MS_1000870	PSI-MSflow infusion acquisition	"KIT3-FIA_neg.dam"	"flow injection analysis"	"PSI-MS"	"http://purl.obolibrary.org/obo/MS_1000058"	"negative scan"	"PSI-MS"	"http://purl.obolibrary.org/obo/MS_1000129"	"1"	"1"	"2015-07-23"	"KIT3-0-5404_810685_31_1_1_SAMPLE_746789_WTC-3"	"KIT3-0-5404_810685_31_0_1_1_00_746789.wiff"	"biocrates analysis"	"MetIQ_5.8.0-DB100-Boron-2644-DB100-2644"	"m_MTBLSXXX_KIT3-0-5404_810685"	"m_MTBLSXXX_KIT3-0-5404_810685_negative_maf.txt"
