Metabolomics Workbench : NIH Data Repository

Analysis	Metabolite Name	Measured Value	Units	Sex	Smoking Status	Diagnosis	Tumor Present
GC POSITIVE ION MODE	pelargonic acid	5538	Counts	F	Ex-Smoker	adenocarcinoma w/ BAC	Yes
GC POSITIVE ION MODE	pelargonic acid	6354	Counts	F	Ex-Smoker	Adenocarcinoma w/ BAC	Yes
GC POSITIVE ION MODE	pelargonic acid	6484	Counts	-	-	-	-
GC POSITIVE ION MODE	pelargonic acid	6759	Counts	F	Ex-Smoker	Adenocarcinoma	No
GC POSITIVE ION MODE	pelargonic acid	7290	Counts	-	-	-	-
GC POSITIVE ION MODE	pelargonic acid	7892	Counts	M	Current Smoker	adenocarcinoma w/ BAC	Yes
GC POSITIVE ION MODE	pelargonic acid	7989	Counts	M	Ex-Smoker	adenocarcinoma	Yes
GC POSITIVE ION MODE	pelargonic acid	8366	Counts	-	-	-	-
GC POSITIVE ION MODE	pelargonic acid	8550	Counts	-	-	-	-
GC POSITIVE ION MODE	pelargonic acid	8620	Counts	M	Ex-Smoker	adenocarcinoma w/ BAC	Yes
GC POSITIVE ION MODE	pelargonic acid	8731	Counts	F	Ex-Smoker	adenocarcinoma	Yes
GC POSITIVE ION MODE	pelargonic acid	8838	Counts	F	Ex-Smoker	adenocarcinoma	Yes
GC POSITIVE ION MODE	pelargonic acid	9093	Counts	M	Ex-Smoker	adenocarcinoma w/ BAC	Yes
GC POSITIVE ION MODE	pelargonic acid	9146	Counts	M	Current Smoker	adenocarcinoma	Yes
GC POSITIVE ION MODE	pelargonic acid	9193	Counts	M	Ex-Smoker	adenocarcinoma w/ BAC	No
GC POSITIVE ION MODE	pelargonic acid	9210	Counts	F	Ex-Smoker	adenocarcinoma w/BAC	Yes
GC POSITIVE ION MODE	pelargonic acid	9360	Counts	F	Current Smoker	adenocarcinoma	Yes
GC POSITIVE ION MODE	pelargonic acid	9692	Counts	F	Ex-Smoker	Adenocarcinoma w/ BAC	No
GC POSITIVE ION MODE	pelargonic acid	10207	Counts	M	Ex-Smoker	adenocarcinoma w/ BAC	No
GC POSITIVE ION MODE	pelargonic acid	10327	Counts	M	Ex-Smoker	adenocarcinoma w/ BAC	No
GC POSITIVE ION MODE	pelargonic acid	10821	Counts	F	Ex-Smoker	adenocarcinoma	No
GC POSITIVE ION MODE	pelargonic acid	11021	Counts	F	Ex-Smoker	adenocarcinoma	Yes
GC POSITIVE ION MODE	pelargonic acid	11035	Counts	F	Ex-Smoker	adenocarcinoma	No
GC POSITIVE ION MODE	pelargonic acid	11202	Counts	F	Ex-Smoker	adenocarcinoma	Yes
GC POSITIVE ION MODE	pelargonic acid	11225	Counts	F	Ex-Smoker	adenocarcinoma	Yes
GC POSITIVE ION MODE	pelargonic acid	12182	Counts	F	Current Smoker	adenocarcinoma w/ BAC	No
GC POSITIVE ION MODE	pelargonic acid	12364	Counts	M	Current Smoker	adenocarcinoma	No
GC POSITIVE ION MODE	pelargonic acid	12421	Counts	F	Ex-Smoker	adenocarcinoma w/BAC	No
GC POSITIVE ION MODE	pelargonic acid	12435	Counts	F	Ex-Smoker	adenocarcinoma w/ BAC	Yes
GC POSITIVE ION MODE	pelargonic acid	12840	Counts	M	Ex-Smoker	adenocarcinoma w/ BAC	No
GC POSITIVE ION MODE	pelargonic acid	12856	Counts	F	Ex-Smoker	Adenocarcinoma	Yes
GC POSITIVE ION MODE	pelargonic acid	12949	Counts	M	Ex-Smoker	Adenocarcinoma	Yes
GC POSITIVE ION MODE	pelargonic acid	13125	Counts	M	Ex-Smoker	adenocarcinoma w/ BAC	No
GC POSITIVE ION MODE	pelargonic acid	13276	Counts	M	Current Smoker	adenocarcinoma	Yes
GC POSITIVE ION MODE	pelargonic acid	13862	Counts	F	Ex-Smoker	adenocarcinoma w/ BAC	Yes
GC POSITIVE ION MODE	pelargonic acid	13938	Counts	M	Ex-Smoker	adenocarcinoma w/ BAC	Yes
GC POSITIVE ION MODE	pelargonic acid	14019	Counts	M	Ex-Smoker	adenocarcinoma	No
GC POSITIVE ION MODE	pelargonic acid	14083	Counts	F	Ex-Smoker	adenocarcinoma, multiple primaries	Yes
GC POSITIVE ION MODE	pelargonic acid	14168	Counts	F	Current Smoker	adenocarcinoma w/ BAC	Yes
GC POSITIVE ION MODE	pelargonic acid	14311	Counts	F	Ex-Smoker	adenocarcinoma w/BAC	No
GC POSITIVE ION MODE	pelargonic acid	14588	Counts	M	Ex-Smoker	adenocarcinoma w/ BAC	Yes
GC POSITIVE ION MODE	pelargonic acid	14957	Counts	F	Ex-Smoker	adenocarcinoma	Yes
GC POSITIVE ION MODE	pelargonic acid	15010	Counts	M	Ex-Smoker	Adenocarcinoma	No
GC POSITIVE ION MODE	pelargonic acid	15202	Counts	F	Ex-Smoker	adenocarcinoma w/ BAC	No
GC POSITIVE ION MODE	pelargonic acid	15344	Counts	F	Ex-Smoker	adenocarcinoma	No
GC POSITIVE ION MODE	pelargonic acid	15408	Counts	M	Ex-Smoker	adenocarcinoma w/ BAC	Yes
GC POSITIVE ION MODE	pelargonic acid	15505	Counts	F	Ex-Smoker	adenocarcinoma	No
GC POSITIVE ION MODE	pelargonic acid	15709	Counts	M	Current Smoker	adenocarcinoma w/ BAC	No
GC POSITIVE ION MODE	pelargonic acid	15784	Counts	F	Ex-Smoker	adenocarcinoma w/ bac	No
GC POSITIVE ION MODE	pelargonic acid	17136	Counts	M	Ex-Smoker	adenocarcinoma w/ BAC	Yes
GC POSITIVE ION MODE	pelargonic acid	17343	Counts	F	Ex-Smoker	adenocarcinoma	Yes
GC POSITIVE ION MODE	pelargonic acid	17586	Counts	M	Ex-Smoker	adenocarcinoma	No
GC POSITIVE ION MODE	pelargonic acid	17759	Counts	M	Ex-Smoker	adenocarcinoma	Yes
GC POSITIVE ION MODE	pelargonic acid	17961	Counts	F	Ex-Smoker	adenocarcinoma	Yes
GC POSITIVE ION MODE	pelargonic acid	18011	Counts	F	Ex-Smoker	adenocarcinoma w/ BAC	No
GC POSITIVE ION MODE	pelargonic acid	18310	Counts	M	Ex-Smoker	adenocarcinoma	Yes
GC POSITIVE ION MODE	pelargonic acid	18702	Counts	M	Ex-Smoker	adenocarcinoma w/ BAC	No
GC POSITIVE ION MODE	pelargonic acid	18735	Counts	F	Ex-Smoker	Adenocarcinoma w/ BAC	Yes
GC POSITIVE ION MODE	pelargonic acid	18855	Counts	M	Ex-Smoker	adenocarcinoma w/ BAC	No
GC POSITIVE ION MODE	pelargonic acid	19252	Counts	F	Ex-Smoker	adenocarcinoma, multiple primaries	Yes
GC POSITIVE ION MODE	pelargonic acid	19574	Counts	M	Ex-Smoker	adenocarcinoma w/ BAC	Yes
GC POSITIVE ION MODE	pelargonic acid	19988	Counts	F	Ex-Smoker	adenocarcinoma w/ BAC	No
GC POSITIVE ION MODE	pelargonic acid	20416	Counts	F	Ex-Smoker	adenocarcinoma w/ BAC	Yes
GC POSITIVE ION MODE	pelargonic acid	21225	Counts	F	Ex-Smoker	adenocarcinoma w/ BAC	Yes
GC POSITIVE ION MODE	pelargonic acid	21938	Counts	F	Ex-Smoker	adenocarcinoma	No
GC POSITIVE ION MODE	pelargonic acid	22008	Counts	-	-	-	-
GC POSITIVE ION MODE	pelargonic acid	22051	Counts	-	-	-	-
GC POSITIVE ION MODE	pelargonic acid	22601	Counts	-	-	-	-
GC POSITIVE ION MODE	pelargonic acid	22633	Counts	F	Ex-Smoker	adenocarcinoma	No
GC POSITIVE ION MODE	pelargonic acid	22859	Counts	-	-	-	-
GC POSITIVE ION MODE	pelargonic acid	23084	Counts	-	-	-	-
GC POSITIVE ION MODE	pelargonic acid	23109	Counts	F	Ex-Smoker	adenocarcinoma	No
GC POSITIVE ION MODE	pelargonic acid	23135	Counts	F	Ex-Smoker	adenocarcinoma w/ BAC	No
GC POSITIVE ION MODE	pelargonic acid	23837	Counts	F	Ex-Smoker	adenocarcinoma w/ BAC	Yes
GC POSITIVE ION MODE	pelargonic acid	25275	Counts	F	Ex-Smoker	adenocarcinoma, multiple primaries	No
GC POSITIVE ION MODE	pelargonic acid	25817	Counts	F	Ex-Smoker	adenocarcinoma w/ BAC	No
GC POSITIVE ION MODE	pelargonic acid	26103	Counts	F	Ex-Smoker	adenocarcinoma	No
GC POSITIVE ION MODE	pelargonic acid	26355	Counts	F	Ex-Smoker	adenocarcinoma w/BAC	Yes
GC POSITIVE ION MODE	pelargonic acid	26961	Counts	M	Ex-Smoker	adenocarcinoma w/ BAC	No
GC POSITIVE ION MODE	pelargonic acid	27464	Counts	F	Ex-Smoker	adenocarcinoma w/ BAC	No
GC POSITIVE ION MODE	pelargonic acid	28035	Counts	F	Current Smoker	adenocarcinoma	No
GC POSITIVE ION MODE	pelargonic acid	30552	Counts	F	Ex-Smoker	adenocarcinoma, multiple primaries	No
GC POSITIVE ION MODE	pelargonic acid	31261	Counts	M	Ex-Smoker	adenocarcinoma	No
GC POSITIVE ION MODE	pelargonic acid	31435	Counts	F	Ex-Smoker	Adenocarcinoma w/ BAC	No
GC POSITIVE ION MODE	pelargonic acid	34425	Counts	M	Ex-Smoker	adenocarcinoma w/ BAC	Yes
GC POSITIVE ION MODE	pelargonic acid	36609	Counts	M	Current Smoker	adenocarcinoma	No
GC POSITIVE ION MODE	pelargonic acid	38992	Counts	F	Ex-Smoker	adenocarcinoma w/ bac	Yes