Metabolomics Workbench : NIH Data Repository

Analysis	Metabolite Name	Measured Value	Units	White wine type and source
GCMS positive ion mode	pelargonic acid	4592	Peak height	Chardonnay, Monterey, CA 2003
GCMS positive ion mode	pelargonic acid	6378	Peak height	Chardonnay, Monterey, CA 2003
GCMS positive ion mode	pelargonic acid	6506	Peak height	Chardonnay, Carneros, CA 2003 (CH02)
GCMS positive ion mode	pelargonic acid	6552	Peak height	Riesling, CA 2004
GCMS positive ion mode	pelargonic acid	6719	Peak height	Chardonnay, SE Australia, 2004
GCMS positive ion mode	pelargonic acid	7383	Peak height	Chardonnay, Carneros, CA 2004
GCMS positive ion mode	pelargonic acid	7599	Peak height	Chardonnay, Monterey, CA 2003
GCMS positive ion mode	pelargonic acid	7629	Peak height	Chardonnay, Carneros, CA 2003 (CH01)
GCMS positive ion mode	pelargonic acid	7789	Peak height	Chardonnay, Carneros, CA 2003 (CH02)
GCMS positive ion mode	pelargonic acid	8086	Peak height	Chardonnay, Carneros, CA 2003 (CH01)
GCMS positive ion mode	pelargonic acid	8089	Peak height	Riesling, Finger Lakes, NY 2004
GCMS positive ion mode	pelargonic acid	8103	Peak height	Chardonnay, Carneros, CA 2004
GCMS positive ion mode	pelargonic acid	8244	Peak height	Chardonnay, Carneros, CA 2003 (CH01)
GCMS positive ion mode	pelargonic acid	8289	Peak height	Chardonnay, Carneros, CA 2003 (CH02)
GCMS positive ion mode	pelargonic acid	8347	Peak height	Riesling, Finger Lakes, NY 2004
GCMS positive ion mode	pelargonic acid	8403	Peak height	Chardonnay, Carneros, CA 2003 (CH01)
GCMS positive ion mode	pelargonic acid	8510	Peak height	Chardonnay, Monterey, CA 2003
GCMS positive ion mode	pelargonic acid	8521	Peak height	Chardonnay, Carneros, CA 2003 (CH02)
GCMS positive ion mode	pelargonic acid	8664	Peak height	Riesling, CA 2004
GCMS positive ion mode	pelargonic acid	8706	Peak height	Chardonnay, Napa, CA 2003
GCMS positive ion mode	pelargonic acid	8921	Peak height	Chardonnay, Monterey, CA 2003
GCMS positive ion mode	pelargonic acid	10321	Peak height	Viognier, Napa, CA 2004
GCMS positive ion mode	pelargonic acid	10395	Peak height	Chardonnay, Napa, CA 2003
GCMS positive ion mode	pelargonic acid	10843	Peak height	Chardonnay, Carneros, CA 2003 (CH02)
GCMS positive ion mode	pelargonic acid	10919	Peak height	Viognier, Napa, CA 2004
GCMS positive ion mode	pelargonic acid	11179	Peak height	Chardonnay, Carneros, CA 2003 (CH01)
GCMS positive ion mode	pelargonic acid	11205	Peak height	Chardonnay, Carneros, CA 2004
GCMS positive ion mode	pelargonic acid	11287	Peak height	Chardonnay, Carneros, CA 2003 (CH01)
GCMS positive ion mode	pelargonic acid	11404	Peak height	Chardonnay, Carneros, CA 2003 (CH02)
GCMS positive ion mode	pelargonic acid	12026	Peak height	Pinot gris, Oregon 2003
GCMS positive ion mode	pelargonic acid	12101	Peak height	Chardonnay, SE Australia, 2004
GCMS positive ion mode	pelargonic acid	12241	Peak height	Sauvignon Blanc, Napa, CA 2004 (SB03)
GCMS positive ion mode	pelargonic acid	12300	Peak height	Pinot gris, Oregon 2003
GCMS positive ion mode	pelargonic acid	12488	Peak height	Sauvignon Blanc, Napa, CA 2004 (SB03)
GCMS positive ion mode	pelargonic acid	12705	Peak height	Chardonnay, SE Australia, 2004
GCMS positive ion mode	pelargonic acid	12802	Peak height	Chardonnay, Carneros, CA 2004
GCMS positive ion mode	pelargonic acid	12882	Peak height	Chardonnay, SE Australia, 2004
GCMS positive ion mode	pelargonic acid	13754	Peak height	Sauvignon Blanc, Napa, CA 2004 (SB04)
GCMS positive ion mode	pelargonic acid	13906	Peak height	Viognier, Dunnigan Hills, CA 2004
GCMS positive ion mode	pelargonic acid	13926	Peak height	Riesling, Finger Lakes, NY 2004
GCMS positive ion mode	pelargonic acid	13985	Peak height	Sauvignon Blanc, Lake County, CA 2001
GCMS positive ion mode	pelargonic acid	14351	Peak height	Chardonnay, SE Australia, 2004
GCMS positive ion mode	pelargonic acid	14625	Peak height	Pinot gris, Oregon 2003
GCMS positive ion mode	pelargonic acid	14690	Peak height	Viognier, Dunnigan Hills, CA 2004
GCMS positive ion mode	pelargonic acid	14728	Peak height	Sauvignon Blanc, Lake County, CA 2001
GCMS positive ion mode	pelargonic acid	14926	Peak height	Chardonnay, Napa, CA 2003
GCMS positive ion mode	pelargonic acid	15071	Peak height	Viognier, Dunnigan Hills, CA 2004
GCMS positive ion mode	pelargonic acid	15113	Peak height	Chardonnay, Napa, CA 2003
GCMS positive ion mode	pelargonic acid	15175	Peak height	Chardonnay, SE Australia, 2004
GCMS positive ion mode	pelargonic acid	15439	Peak height	Sauvignon Blanc, Napa, CA 2004 (SB04)
GCMS positive ion mode	pelargonic acid	15557	Peak height	Chardonnay, Napa, CA 2003
GCMS positive ion mode	pelargonic acid	15726	Peak height	Sauvignon Blanc, Napa, CA 2004 (SB03)
GCMS positive ion mode	pelargonic acid	15869	Peak height	Pinot gris, Oregon 2003
GCMS positive ion mode	pelargonic acid	16087	Peak height	Pinot gris, Napa, CA 2004
GCMS positive ion mode	pelargonic acid	16466	Peak height	Chardonnay, Monterey, CA 2003
GCMS positive ion mode	pelargonic acid	16791	Peak height	Elevage Blanc, Napa, CA 2004
GCMS positive ion mode	pelargonic acid	17015	Peak height	Sauvignon Blanc, Lake County, CA 2001
GCMS positive ion mode	pelargonic acid	17144	Peak height	Chardonnay, Napa, CA 2003
GCMS positive ion mode	pelargonic acid	17185	Peak height	Viognier, Napa, CA 2004
GCMS positive ion mode	pelargonic acid	17862	Peak height	Sauvignon Blanc, Napa, CA 2004 (SB03)
GCMS positive ion mode	pelargonic acid	17877	Peak height	Pinot gris, Oregon 2003
GCMS positive ion mode	pelargonic acid	17919	Peak height	Sauvignon Blanc, Napa, CA 2004 (SB03)
GCMS positive ion mode	pelargonic acid	18061	Peak height	Pinot gris, Oregon 2003
GCMS positive ion mode	pelargonic acid	18122	Peak height	Viognier, Dunnigan Hills, CA 2004
GCMS positive ion mode	pelargonic acid	18413	Peak height	Sauvignon Blanc, Napa, CA 2004 (SB04)
GCMS positive ion mode	pelargonic acid	18844	Peak height	Sauvignon Blanc, Lake County, CA 2001
GCMS positive ion mode	pelargonic acid	19226	Peak height	Riesling, Finger Lakes, NY 2004
GCMS positive ion mode	pelargonic acid	19403	Peak height	Viognier, Napa, CA 2004
GCMS positive ion mode	pelargonic acid	19472	Peak height	Elevage Blanc, Napa, CA 2004
GCMS positive ion mode	pelargonic acid	19570	Peak height	Pinot gris, Napa, CA 2004
GCMS positive ion mode	pelargonic acid	20131	Peak height	Elevage Blanc, Napa, CA 2004
GCMS positive ion mode	pelargonic acid	20146	Peak height	Pinot gris, Napa, CA 2004
GCMS positive ion mode	pelargonic acid	20353	Peak height	Pinot gris, Napa, CA 2004
GCMS positive ion mode	pelargonic acid	20457	Peak height	Fume Blanc, Napa, CA 2004
GCMS positive ion mode	pelargonic acid	20821	Peak height	Sauvignon Blanc, Napa, CA 2004 (SB03)
GCMS positive ion mode	pelargonic acid	21546	Peak height	Fume Blanc, Napa, CA 2004
GCMS positive ion mode	pelargonic acid	21770	Peak height	Elevage Blanc, Napa, CA 2004
GCMS positive ion mode	pelargonic acid	22518	Peak height	Viognier, Dunnigan Hills, CA 2004
GCMS positive ion mode	pelargonic acid	22771	Peak height	Pinot gris, Napa, CA 2004
GCMS positive ion mode	pelargonic acid	23100	Peak height	Riesling, Finger Lakes, NY 2004
GCMS positive ion mode	pelargonic acid	24089	Peak height	Pinot gris, Napa, CA 2004
GCMS positive ion mode	pelargonic acid	26574	Peak height	Viognier, Napa, CA 2004
GCMS positive ion mode	pelargonic acid	27632	Peak height	Viognier, Napa, CA 2004
GCMS positive ion mode	pelargonic acid	29090	Peak height	Riesling, Finger Lakes, NY 2004
GCMS positive ion mode	pelargonic acid	30204	Peak height	Fume Blanc, Napa, CA 2004
GCMS positive ion mode	pelargonic acid	30804	Peak height	Fume Blanc, Napa, CA 2004
GCMS positive ion mode	pelargonic acid	30975	Peak height	Sauvignon Blanc, Lake County, CA 2001
GCMS positive ion mode	pelargonic acid	33330	Peak height	Viognier, Dunnigan Hills, CA 2004
GCMS positive ion mode	pelargonic acid	34802	Peak height	Sauvignon Blanc, Napa, CA 2004 (SB04)
GCMS positive ion mode	pelargonic acid	36088	Peak height	Sauvignon Blanc, Lake County, CA 2001
GCMS positive ion mode	pelargonic acid	38768	Peak height	Chardonnay, Carneros, CA 2004
GCMS positive ion mode	pelargonic acid	39157	Peak height	Sauvignon Blanc, Napa, CA 2004 (SB04)
GCMS positive ion mode	pelargonic acid	39455	Peak height	Fume Blanc, Napa, CA 2004
GCMS positive ion mode	pelargonic acid	40190	Peak height	Elevage Blanc, Napa, CA 2004
GCMS positive ion mode	pelargonic acid	40699	Peak height	Chardonnay, Carneros, CA 2004
GCMS positive ion mode	pelargonic acid	41345	Peak height	Riesling, CA 2004
GCMS positive ion mode	pelargonic acid	41936	Peak height	Riesling, CA 2004
GCMS positive ion mode	pelargonic acid	49893	Peak height	Fume Blanc, Napa, CA 2004
GCMS positive ion mode	pelargonic acid	66329	Peak height	Riesling, CA 2004
GCMS positive ion mode	pelargonic acid	83469	Peak height	Riesling, CA 2004
GCMS positive ion mode	pelargonic acid	117521	Peak height	Sauvignon Blanc, Napa, CA 2004 (SB04)