Citation:

journal.pone.0168196

Always quote citation above when using data! You can download the citation in several formats below.

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Coverage:

Latitude: 54.455830 * Longitude: 10.199160

Date/Time Start: 2012-08-01T00:00:00 * Date/Time End: 2013-07-31T00:00:00

Event(s):

Kiel-Buelk_outer-Kiel-Fjord * Latitude: 54.455830 * Longitude: 10.199160 * Date/Time Start: 2012-08-01T00:00:00 * Date/Time End: 2013-07-31T00:00:00 * Method/Device: Multiple investigations (MULT)

Comment:

Sampling took place in a depth of 0.5 m under mid water level.

Parameter comment and data table column description contains: Mass, Retention Time, NIST Library suggestion, number of TMS groups within the derivatized molecule.

Metabolite identification confirmed by comparison with a standard. Metabolites are tagged with “?” if the reverse match of the comparison with the library was lower than 800 and with“??” if the score was lower than 700.

EITTMS_N12C_ATHR_2614.71135EC44 etc. stands for a internal reference for the NIST-library without any further structure assignments.

Parameter(s):

#	Name	Short Name	Unit	Principal Investigator	Comment
1	DATE/TIME	Date/Time		Rickert, Esther	Geocode
2	Species	Species		Rickert, Esther
3	Sample code/label	Sample label		Rickert, Esther
4	Concentration	Conc	relative units	Rickert, Esther	140.04(5.204,Unknown)
5	Concentration	Conc	relative units	Rickert, Esther	160.03(5.274,Unknown)
6	Concentration	Conc	relative units	Rickert, Esther	150.08(5.434,Unknown)
7	Concentration	Conc	relative units	Rickert, Esther	262.11(5.468,Unknown)
8	Concentration	Conc	relative units	Rickert, Esther	170.14(5.538,Unknown)
9	Concentration	Conc	relative units	Rickert, Esther	167.08(5.558,Pyridine, 3-trimethylsiloxy)
10	Concentration	Conc	relative units	Rickert, Esther	181.07(5.584,Unknown)
11	Concentration	Conc	relative units	Rickert, Esther	115.06(5.608,Unknown)
12	Concentration	Conc	relative units	Rickert, Esther	115.06(5.668,Pentane, 2-methyl-4-keto-2-trimethylsiloxy-)
13	Concentration	Conc	relative units	Rickert, Esther	207.03(5.805,M000870_A104001-101-xxx_NA_1021,01_PRED_VAR5_ALK_Siloxane)
14	Concentration	Conc	relative units	Rickert, Esther	191.08(5.828,Propanoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester (Lactic acid))
15	Concentration	Conc	relative units	Rickert, Esther	174.1(5.851,Phthalimide, N-isopropyl-)
16	Concentration	Conc	relative units	Rickert, Esther	191.08(5.9,Propanoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester (Lactic acid))
17	Concentration	Conc	relative units	Rickert, Esther	130.1(6.012,Unknown)
18	Concentration	Conc	relative units	Rickert, Esther	103.06(6.022,Unknown)
19	Concentration	Conc	relative units	Rickert, Esther	121.04(6.035,Unknown)
20	Concentration	Conc	relative units	Rickert, Esther	173.1(6.065,Hexanoic acid (1TMS))
21	Concentration	Conc	relative units	Rickert, Esther	186.06(6.095,Unknown)
22	Concentration	Conc	relative units	Rickert, Esther	177.08(6.125,Acetic acid, [(trimethylsilyl)oxy]-, trimethylsilyl ester)
23	Concentration	Conc	relative units	Rickert, Esther	217.07(6.246,Pyruvic acid, bis(trimethylsilyl)-)
24	Concentration	Conc	relative units	Rickert, Esther	186.13(6.332,Unknown)
25	Concentration	Conc	relative units	Rickert, Esther	116.09(6.483,l-Alanine, N-(trimethylsilyl)-, trimethylsilyl ester)
26	Concentration	Conc	relative units	Rickert, Esther	133.05(6.593,Tris(trimethylsilyl)hydroxylamine)
27	Concentration	Conc	relative units	Rickert, Esther	240.04(6.66,Unknown)
28	Concentration	Conc	relative units	Rickert, Esther	125.04(6.893,Furan-2-carboxylic acid (1TMS))
29	Concentration	Conc	relative units	Rickert, Esther	235.11(6.973,M000000_A114002-101-xxx_NA_1131,27_TRUE_VAR5_ALK_NA114002 (classified unknown))
30	Concentration	Conc	relative units	Rickert, Esther	177.08(7.03,1,4-Butanediol bis(trimethylsilyl)ether)
31	Concentration	Conc	relative units	Rickert, Esther	173.07(7.073,Unknown)
32	Concentration	Conc	relative units	Rickert, Esther	174.12(7.108,Unknown)
33	Concentration	Conc	relative units	Rickert, Esther	201.13(7.22,2-Ethylhexanoic acid, trimethylsilyl ester)
34	Concentration	Conc	relative units	Rickert, Esther	201.13(7.27,2-Ethylhexanoic acid, trimethylsilyl ester)
35	Concentration	Conc	relative units	Rickert, Esther	187.12(7.337, Heptanoic acid, n- (1TMS))
36	Concentration	Conc	relative units	Rickert, Esther	281.05(7.437,Pentasiloxane, dodecamethyl-)
37	Concentration	Conc	relative units	Rickert, Esther	177.04(7.471,Unknown)
38	Concentration	Conc	relative units	Rickert, Esther	151.07(7.484,2-(2-Methyl-propenyl)-cyclohexanone)
39	Concentration	Conc	relative units	Rickert, Esther	89.04(7.541,Unknown)
40	Concentration	Conc	relative units	Rickert, Esther	72.05(7.591,Unknown)
41	Concentration	Conc	relative units	Rickert, Esther	145.1(7.705,Pentanoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester)
42	Concentration	Conc	relative units	Rickert, Esther	245.14(7.782,2-Penten-2,4-diol, 4-methyl-, bis(trimethylsilyl)ether)
43	Concentration	Conc	relative units	Rickert, Esther	144.12(7.928,Unknown)
44	Concentration	Conc	relative units	Rickert, Esther	156.05(7.928,Unknown)
45	Concentration	Conc	relative units	Rickert, Esther	221.09(8.018,3,6-Dioxa-2,4,5,7-tetrasilaoctane, 2,2,4,4,5,5,7,7-octamethyl-)
46	Concentration	Conc	relative units	Rickert, Esther	281.06(8.02,M000870_A123002-101-xxx_NA_1208,14_PRED_VAR5_ALK_similar to Pentasiloxane, dodecamethyl)
47	Concentration	Conc	relative units	Rickert, Esther	159.12(8.052,Unknown)
48	Concentration	Conc	relative units	Rickert, Esther	117.07(8.279,3,6,9-Trioxa-2,10-disilaundecane, 2,2,10,10-tetramethyl-)
49	Concentration	Conc	relative units	Rickert, Esther	179.05(8.322,Benzoic acid trimethylsilyl ester)
50	Concentration	Conc	relative units	Rickert, Esther	298.09(8.466,Unknown)
51	Concentration	Conc	relative units	Rickert, Esther	201.13(8.533,Octanoic acid, trimethylsilyl ester)
52	Concentration	Conc	relative units	Rickert, Esther	174.11(8.536,Unknown)
53	Concentration	Conc	relative units	Rickert, Esther	186.09(8.616,M000029_A159001-101-xxx_NA_1583,16_TRUE_VAR5_ALK_Proline [+CO2] )
54	Concentration	Conc	relative units	Rickert, Esther	205.11(8.693,Trimethylsilyl ether of glycerol)
55	Concentration	Conc	relative units	Rickert, Esther	268.06(8.833,Unknown)
56	Concentration	Conc	relative units	Rickert, Esther	142.1(8.933,Proline (2 TMS))
57	Concentration	Conc	relative units	Rickert, Esther	180.05(8.933,Benzeneacetic acid, trimethylsilyl ester)
58	Concentration	Conc	relative units	Rickert, Esther	174.12(9.033,Glycine, N,N-bis(trimethylsilyl)-, trimethylsilyl ester)
59	Concentration	Conc	relative units	Rickert, Esther	247.08(9.117,Succinic acid (2tms))
60	Concentration	Conc	relative units	Rickert, Esther	217.11(9.26,Ethylmalonic acid, bis(trimethylsilyl) ester)
61	Concentration	Conc	relative units	Rickert, Esther	215.1(9.283,Unknown)
62	Concentration	Conc	relative units	Rickert, Esther	184.04(9.324,2,5-Furandicarboxylic acid)
63	Concentration	Conc	relative units	Rickert, Esther	292.13(9.367,Glyceric acid (3TMS))
64	Concentration	Conc	relative units	Rickert, Esther	215.09(9.454,Itaconic acid (tms))
65	Concentration	Conc	relative units	Rickert, Esther	245.07(9.534,2-Methylacetoacetic acid, di(trimethylsilyl) deriv.)
66	Concentration	Conc	relative units	Rickert, Esther	215.15(9.658,Trimethylsilyl nonanoate)
67	Concentration	Conc	relative units	Rickert, Esther	255.1(9.695,Unknown)
68	Concentration	Conc	relative units	Rickert, Esther	278.13(9.695,Unknown)
69	Concentration	Conc	relative units	Rickert, Esther	207.04(9.721,Unknown)
70	Concentration	Conc	relative units	Rickert, Esther	189.1(9.761,Unknown)
71	Concentration	Conc	relative units	Rickert, Esther	240.09(9.916,Unknown)
72	Concentration	Conc	relative units	Rickert, Esther	189.1(10.019,Unknown)
73	Concentration	Conc	relative units	Rickert, Esther	275.11(10.075,Unknown)
74	Concentration	Conc	relative units	Rickert, Esther	243.1(10.116,Unknown)
75	Concentration	Conc	relative units	Rickert, Esther	191.1(10.116,Unknown)
76	Concentration	Conc	relative units	Rickert, Esther	158.08(10.172,Glutaric acid (tms))
77	Concentration	Conc	relative units	Rickert, Esther	275.12(10.296,2-Methylglutaric acid, bis(trimethylsilyl)- ester)
78	Concentration	Conc	relative units	Rickert, Esther	174.12(10.483,Unknown)
79	Concentration	Conc	relative units	Rickert, Esther	243.09(10.539,Unknown)
80	Concentration	Conc	relative units	Rickert, Esther	229.16(10.736,Trimethylsilyl decanoate)
81	Concentration	Conc	relative units	Rickert, Esther	350.15(10.783,CharlesMetabo : Skel_Cell_C033)
82	Concentration	Conc	relative units	Rickert, Esther	289.13(10.797,Unknown)
83	Concentration	Conc	relative units	Rickert, Esther	91.03(10.917,n-Undecyl chloride)
84	Concentration	Conc	relative units	Rickert, Esther	239.11(10.917,Unknown)
85	Concentration	Conc	relative units	Rickert, Esther	281.05(10.98,Dodecamethylpentasiloxane)
86	Concentration	Conc	relative units	Rickert, Esther	234.12(11.034,Arabino-Hexos-2-ulose, 3,4,5,6-tetrakis-O-(trimethylsilyl)-, bis(dimethyl acetal))
87	Concentration	Conc	relative units	Rickert, Esther	275.12(11.254,Adipic acid (tms) (Hexanedioic acid))
88	Concentration	Conc	relative units	Rickert, Esther	220.16(11.271,Unknown)
89	Concentration	Conc	relative units	Rickert, Esther	369.17(11.281,Unknown)
90	Concentration	Conc	relative units	Rickert, Esther	103.06(11.308,M000469_A149002-101-xxx_NA_1485,23_TRUE_VAR5_ALK_Threitol (4TMS))
91	Concentration	Conc	relative units	Rickert, Esther	170.1(11.308,Adipo-2,6-lactam (2TMS)
92	Concentration	Conc	relative units	Rickert, Esther	237.12(11.374,Unknown)
93	Concentration	Conc	relative units	Rickert, Esther	217.11(11.388,Threitol, 1,2,3,4-tetrakis-O-(trimethylsilyl)-, D-)
94	Concentration	Conc	relative units	Rickert, Esther	156.1(11.398,L-Proline, 5-oxo-1-(trimethylsilyl)-, trimethylsilyl ester : Pyroglutamic acid 2TMS)
95	Concentration	Conc	relative units	Rickert, Esther	242.09(11.455,Unknown)
96	Concentration	Conc	relative units	Rickert, Esther	242.09(11.505,Unknown)
97	Concentration	Conc	relative units	Rickert, Esther	242.09(11.558,Unknown)
98	Concentration	Conc	relative units	Rickert, Esther	301.13(11.581,1,2,3,4-Tetramethoxybenzene)
99	Concentration	Conc	relative units	Rickert, Esther	263.18(11.591,Unknown)
100	Concentration	Conc	relative units	Rickert, Esther	170.1(11.678,Adipo-2,6-lactam (2TMS))
101	Concentration	Conc	relative units	Rickert, Esther	205.07(11.695,Cinnamic acid, trimethylsilyl ester)
102	Concentration	Conc	relative units	Rickert, Esther	292.13(11.74,Unknown)
103	Concentration	Conc	relative units	Rickert, Esther	243.18(11.751,Undecanoic acid (1TMS))
104	Concentration	Conc	relative units	Rickert, Esther	117.07(11.835,Unknown)
105	Concentration	Conc	relative units	Rickert, Esther	292.13(11.888,THREONIC ACID,O,O,O,O-TMS (rythronic acid, tetrakis(trimethylsilyl) deriv. (2,3,4-Trihydroxybutyric acid)))
106	Concentration	Conc	relative units	Rickert, Esther	243.21(11.908,Unknown)
107	Concentration	Conc	relative units	Rickert, Esther	235.12(12.119,Cinnamic acid, m-methoxy-, trimethylsilyl ester)
108	Concentration	Conc	relative units	Rickert, Esther	125.06(12.259,Pimelic acid, bis(trimethylsilyl)-, ester (Heptanedioic acid))
109	Concentration	Conc	relative units	Rickert, Esther	262.16(12.516,Unknown)
110	Concentration	Conc	relative units	Rickert, Esther	252.14(12.61,Hydrocinnamic acid, p-(trimethylsiloxy)-, methyl ester)
111	Concentration	Conc	relative units	Rickert, Esther	342.16(12.643,1,3,5-Tris(trimethylsiloxy)benzene)
112	Concentration	Conc	relative units	Rickert, Esther	226.13(12.667,Unknown)
113	Concentration	Conc	relative units	Rickert, Esther	257.2(12.724,Dodecanoic acid, trimethylsilyl ester (Lauric acid))
114	Concentration	Conc	relative units	Rickert, Esther	228.1(12.767,Unknown)
115	Concentration	Conc	relative units	Rickert, Esther	217.11(12.777,Unknown)
116	Concentration	Conc	relative units	Rickert, Esther	217.09(12.837,Ã -DL-Lyxofuranoside, methyl 2,3,5-tris-O-(trimethylsilyl)-)
117	Concentration	Conc	relative units	Rickert, Esther	217.11(12.904,d-Xylose, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, O-methyloxime)
118	Concentration	Conc	relative units	Rickert, Esther	279.18(12.987,Unknown)
119	Concentration	Conc	relative units	Rickert, Esther	192.1(13.004,Unknown)
120	Concentration	Conc	relative units	Rickert, Esther	263.14(13.034,Gluconic acid, Ã§-lactone, 2-methoximine, tris(O-trimethylsilyl)-)
121	Concentration	Conc	relative units	Rickert, Esther	295.08(13.077,Phthalic acid (tms))
122	Concentration	Conc	relative units	Rickert, Esther	277.2(13.084,3,5-Di-tert-butyl-4-trimethylsiloxytoluene)
123	Concentration	Conc	relative units	Rickert, Esther	303.14(13.161,Suberic acid (tms) (Octanedioic acid))
124	Concentration	Conc	relative units	Rickert, Esther	97.1(13.211,Unknown)
125	Concentration	Conc	relative units	Rickert, Esther	307.16(13.238,Xylitol, 1,2,3,4,5-pentakis-O-(trimethylsilyl)-)
126	Concentration	Conc	relative units	Rickert, Esther	307.15(13.304,Xylitol, 1,2,3,4,5-pentakis-O-(trimethylsilyl)-)
127	Concentration	Conc	relative units	Rickert, Esther	319.16(13.425,Arabinitol, pentakis-O-(trimethylsilyl)-)
128	Concentration	Conc	relative units	Rickert, Esther	271.21(13.642,Tridecanoic acid)
129	Concentration	Conc	relative units	Rickert, Esther	295.08(13.722,1,3-Benzenedicarboxylic acid, bis(trimethylsilyl) ester)
130	Concentration	Conc	relative units	Rickert, Esther	271.25(13.772,Unknown)
131	Concentration	Conc	relative units	Rickert, Esther	217.08(13.825,Unknown)
132	Concentration	Conc	relative units	Rickert, Esther	319.16(13.892,d-Glucitol, 1,2,3,4,5,6-hexakis-O-(trimethylsilyl)-)
133	Concentration	Conc	relative units	Rickert, Esther	295.08(13.982,1,4-Benzenedicarboxylic acid, bis(trimethylsilyl) ester)
134	Concentration	Conc	relative units	Rickert, Esther	317.16(14.059,Azelaic acid, bis(trimethylsilyl) ester (Nonanedioic acid))
135	Concentration	Conc	relative units	Rickert, Esther	57.07(14.106,non-RImix alcane)
136	Concentration	Conc	relative units	Rickert, Esther	71.09(14.186,CharlesMetabo : Skel_Cell_C176)
137	Concentration	Conc	relative units	Rickert, Esther	285.23(14.202,Tetradecanoic acid, trimethylsilyl ester)
138	Concentration	Conc	relative units	Rickert, Esther	309.11(14.329,Unknown)
139	Concentration	Conc	relative units	Rickert, Esther	217.11(14.367,EITTMS_N12C_STUR_1832.7_1135EC29_)
140	Concentration	Conc	relative units	Rickert, Esther	384.16(14.396,Homogentisic acid (tms) / Benzeneacetic acid, 2,5-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester)
141	Concentration	Conc	relative units	Rickert, Esther	231.13(14.42,D-Ribo-Hexitol, 3-deoxy-1,2,4,5,6-pentakis-O-(trimethylsilyl)-)
142	Concentration	Conc	relative units	Rickert, Esther	123.12(14.436,C20H40O)
143	Concentration	Conc	relative units	Rickert, Esther	285.22(14.516,Tetradecanoic acid, trimethylsilyl ester)
144	Concentration	Conc	relative units	Rickert, Esther	246.1(14.597,Glutamic acid (3TMS))
145	Concentration	Conc	relative units	Rickert, Esther	156.11(14.613,Unknown)
146	Concentration	Conc	relative units	Rickert, Esther	149.02(14.65,Dibutyl phthalate)
147	Concentration	Conc	relative units	Rickert, Esther	231.09(14.701,D-Ribo-Hexitol, 3-deoxy-1,2,4,5,6-pentakis-O-(trimethylsilyl)-)
148	Concentration	Conc	relative units	Rickert, Esther	82.08(14.733,Unknown)
149	Concentration	Conc	relative units	Rickert, Esther	217.11(14.767,D-Fructose, 1,3,4,5,6-pentakis-O-(trimethylsilyl)-, O-methyloxime)
150	Concentration	Conc	relative units	Rickert, Esther	307.16(14.824,D-Fructose, 1,3,4,5,6-pentakis-O-(trimethylsilyl)-, O-methyloxime)
151	Concentration	Conc	relative units	Rickert, Esther	299.25(14.857,Pentadecanoic acid (1TMS))
152	Concentration	Conc	relative units	Rickert, Esther	331.18(14.904,Sebacic acid (2TMS) (1,10-decanedioic acid))
153	Concentration	Conc	relative units	Rickert, Esther	319.16(14.92,Unknown)
154	Concentration	Conc	relative units	Rickert, Esther	319.16(14.97,EITTMS_N12C_SD2_1889.9_1135EC00_Glucose methoxyamine (5TMS))
155	Concentration	Conc	relative units	Rickert, Esther	299.24(15.051,n-Pentadecanoic acid, trimethylsilyl ester)
156	Concentration	Conc	relative units	Rickert, Esther	299.24(15.124,n-Pentadecanoic acid, trimethylsilyl ester)
157	Concentration	Conc	relative units	Rickert, Esther	197.06(15.131,Unknown)
158	Concentration	Conc	relative units	Rickert, Esther	205.1(15.141,Unknown)
159	Concentration	Conc	relative units	Rickert, Esther	87.04(15.181,Hexadecanoic acid, methyl ester (palmitic acid))
160	Concentration	Conc	relative units	Rickert, Esther	307.1(15.258,Trimethylsilyl ether of mannitol)
161	Concentration	Conc	relative units	Rickert, Esther	299.24(15.354,n-Pentadecanoic acid, trimethylsilyl ester)
162	Concentration	Conc	relative units	Rickert, Esther	375.17(15.405,Unknown)
163	Concentration	Conc	relative units	Rickert, Esther	299.27(15.461,Hexadecan-1-ol, n- (1TMS))
164	Concentration	Conc	relative units	Rickert, Esther	311.25(15.511,Palmitelaidic acid, trimethylsilyl ester)
165	Concentration	Conc	relative units	Rickert, Esther	311.25(15.555,Palmitelaidic acid, trimethylsilyl ester)
166	Concentration	Conc	relative units	Rickert, Esther	311.24(15.601,Unknown)
167	Concentration	Conc	relative units	Rickert, Esther	375.17(15.642,Unknown)
168	Concentration	Conc	relative units	Rickert, Esther	305.14(15.672,Myo-Inositol, 1,2,3,4,5,6-hexakis-O-(trimethylsilyl)-)
169	Concentration	Conc	relative units	Rickert, Esther	345.2(15.702,1,11-Undecanedioic acid, 2 TMS)
170	Concentration	Conc	relative units	Rickert, Esther	313.26(15.712,Unknown)
171	Concentration	Conc	relative units	Rickert, Esther	71.08(15.812,1,3-Dioxolane, 2,2-dimethyl-4-[(tetradecyloxy)methyl]-)
172	Concentration	Conc	relative units	Rickert, Esther	313.26(15.862,Unknown)
173	Concentration	Conc	relative units	Rickert, Esther	292.14(15.879,Galactonic acid, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-, trimethylsilyl ester)
174	Concentration	Conc	relative units	Rickert, Esther	97.1(15.95,Unknown)
175	Concentration	Conc	relative units	Rickert, Esther	311.24(15.952,Palmitelaidic acid, trimethylsilyl ester)
176	Concentration	Conc	relative units	Rickert, Esther	311.24(16.006,Palmitelaidic acid, trimethylsilyl ester)
177	Concentration	Conc	relative units	Rickert, Esther	97.1(16.073,Unknown)
178	Concentration	Conc	relative units	Rickert, Esther	318.15(16.092,INOSITOL,O,O,O,O,O,O-TMS)
179	Concentration	Conc	relative units	Rickert, Esther	129.04(16.159,Hexadecanoic acid tms)
180	Concentration	Conc	relative units	Rickert, Esther	379.25(16.199,Unknown)
181	Concentration	Conc	relative units	Rickert, Esther	146.08(16.243,Unknown)
182	Concentration	Conc	relative units	Rickert, Esther	189.05(16.313,2-Amino-4-cyanomethyl-6-piperidino-1,3,5-triazine)
183	Concentration	Conc	relative units	Rickert, Esther	327.27(16.46,Heptadecanoic acid (1TMS))
184	Concentration	Conc	relative units	Rickert, Esther	359.21(16.493,Unknown)
185	Concentration	Conc	relative units	Rickert, Esther	406.3(16.5,Unknown)
186	Concentration	Conc	relative units	Rickert, Esther	172.08(16.53,l-Valine, N-butoxycarbonyl-, tridecyl ester)
187	Concentration	Conc	relative units	Rickert, Esther	327.27(16.536,Heptadecanoic acid, trimethylsilyl ester)
188	Concentration	Conc	relative units	Rickert, Esther	406.29(16.536,Unknown)
189	Concentration	Conc	relative units	Rickert, Esther	305.14(16.593,INOSITOL,O,O,O,O,O,O-TMS)
190	Concentration	Conc	relative units	Rickert, Esther	327.27(16.647,1,3-Dioxane, 5-(hexadecyloxy)-2-pentadecyl-, trans-)
191	Concentration	Conc	relative units	Rickert, Esther	117.04(16.717,Heptadecanoic acid (1TMS))
192	Concentration	Conc	relative units	Rickert, Esther	325.26(16.727,Unknown)
193	Concentration	Conc	relative units	Rickert, Esther	151.01(16.774,Unknown)
194	Concentration	Conc	relative units	Rickert, Esther	325.25(16.784,Heptadecenoic acid (1TMS))
195	Concentration	Conc	relative units	Rickert, Esther	74.04(16.8,Octadecanoic acid, methyl ester)
196	Concentration	Conc	relative units	Rickert, Esther	156.14(16.83,Unknown)
197	Concentration	Conc	relative units	Rickert, Esther	319.16(16.85,Skel_Cell_C128_RT14.776 / Charles)
198	Concentration	Conc	relative units	Rickert, Esther	327.27(16.927,Heptadecanoic acid, trimethylsilyl ester)
199	Concentration	Conc	relative units	Rickert, Esther	327.31(17.027,Unknown)
200	Concentration	Conc	relative units	Rickert, Esther	199.12(17.097,Unknown)
201	Concentration	Conc	relative units	Rickert, Esther	185.1(17.131,Unknown)
202	Concentration	Conc	relative units	Rickert, Esther	166.99(17.158,Unknown)
203	Concentration	Conc	relative units	Rickert, Esther	373.23(17.218,Decanedioic acid, bis(tert-butyldimethylsilyl) ester)
204	Concentration	Conc	relative units	Rickert, Esther	319.15(17.288,Skel_Cell_C128_RT14.776 / Charles)
205	Concentration	Conc	relative units	Rickert, Esther	128.06(17.405,Unknown)
206	Concentration	Conc	relative units	Rickert, Esther	339.27(17.468,11-cis-Octadecenoic acid, trimethylsilyl ester)
207	Concentration	Conc	relative units	Rickert, Esther	339.27(17.522,11-trans-Octadecenoic acid, trimethylsilyl ester)
208	Concentration	Conc	relative units	Rickert, Esther	319.16(17.595,Sedoheptulose, o-methyloxime, hexakis-O-(trimethylsilyl)-)
209	Concentration	Conc	relative units	Rickert, Esther	341.27(17.665,Octadecanoic acid, trimethylsilyl ester)
210	Concentration	Conc	relative units	Rickert, Esther	204.1(17.726,Unknown)
211	Concentration	Conc	relative units	Rickert, Esther	354.3(17.765,Unknown)
212	Concentration	Conc	relative units	Rickert, Esther	204.1(17.846,2-O-Glycerol-Ã -d-galactopyranoside, hexa-TMS)
213	Concentration	Conc	relative units	Rickert, Esther	355.3(17.946,Unknown)
214	Concentration	Conc	relative units	Rickert, Esther	204.11(17.956,Unknown)
215	Concentration	Conc	relative units	Rickert, Esther	682.28(18.099,Unknown)
216	Concentration	Conc	relative units	Rickert, Esther	355.31(18.123,Unknown)
217	Concentration	Conc	relative units	Rickert, Esther	166.99(18.126,Unknown)
218	Concentration	Conc	relative units	Rickert, Esther	204.1(18.139,Unknown)
219	Concentration	Conc	relative units	Rickert, Esther	204.1(18.183,Unknown)
220	Concentration	Conc	relative units	Rickert, Esther	355.31(18.183,Unknown)
221	Concentration	Conc	relative units	Rickert, Esther	204.1(18.24,Unknown)
222	Concentration	Conc	relative units	Rickert, Esther	166.99(18.323,Unknown)
223	Concentration	Conc	relative units	Rickert, Esther	204.1(18.33,Unknown)
224	Concentration	Conc	relative units	Rickert, Esther	355.31(18.38,Nonadecanoic acid, trimethylsilyl ester)
225	Concentration	Conc	relative units	Rickert, Esther	355.34(18.46,Unknown)
226	Concentration	Conc	relative units	Rickert, Esther	237.17(18.567,Unknown)
227	Concentration	Conc	relative units	Rickert, Esther	181.1(18.647,Methyl 9,12-epithio-9,11-octadecanoate)
228	Concentration	Conc	relative units	Rickert, Esther	167.09(18.664,Unknown)
229	Concentration	Conc	relative units	Rickert, Esther	285.28(18.7,Unknown)
230	Concentration	Conc	relative units	Rickert, Esther	239.18(18.74,M000000_A241004-101-xxx_NA_2418,77_PRED_VAR5_ALK_NA)
231	Concentration	Conc	relative units	Rickert, Esther	369.32(18.811,Eicosanoic acid, trimethylsilyl ester)
232	Concentration	Conc	relative units	Rickert, Esther	237.17(18.861,Unknown)
233	Concentration	Conc	relative units	Rickert, Esther	367.31(18.931,Unknown)
234	Concentration	Conc	relative units	Rickert, Esther	359.24(18.994,Octadecanoic acid, 12-(trimethylsiloxy)-, trimethylsilyl ester)
235	Concentration	Conc	relative units	Rickert, Esther	369.32(19.064,Eicosanoic acid, trimethylsilyl ester)
236	Concentration	Conc	relative units	Rickert, Esther	85.08(19.104,Unknown)
237	Concentration	Conc	relative units	Rickert, Esther	91.06(19.154,Unknown)
238	Concentration	Conc	relative units	Rickert, Esther	319.33(19.435,C18-C22 long chain w/ 1N and 1 unsta.)
239	Concentration	Conc	relative units	Rickert, Esther	383.33(19.485,Unknown)
240	Concentration	Conc	relative units	Rickert, Esther	383.34(19.549,Unknown)
241	Concentration	Conc	relative units	Rickert, Esther	149.03(19.692,Unknown)
242	Concentration	Conc	relative units	Rickert, Esther	383.34(19.722,1,6-Dihydroxy-2-methylanthraquinone, O,O;-vis(trimethylsilyl)- )
243	Concentration	Conc	relative units	Rickert, Esther	455.28(19.792,Unknown)
244	Concentration	Conc	relative units	Rickert, Esther	371.3(20.023,Unknown)
245	Concentration	Conc	relative units	Rickert, Esther	283.26(20.059,M000000_A260006-101-xxx_NA_2604,01_TRUE_VAR5_ALK_D260482)
246	Concentration	Conc	relative units	Rickert, Esther	397.36(20.126,Unknown)
247	Concentration	Conc	relative units	Rickert, Esther	129.04(20.36,Docosanoic acid, trimethylsilyl ester)
248	Concentration	Conc	relative units	Rickert, Esther	56.07(20.413,Unknown)
249	Concentration	Conc	relative units	Rickert, Esther	361.17(20.47,Ã -D-Glucopyranoside, 1,3,4,6-tetrakis-O-(trimethylsilyl)-Ã¡-D-fructofuranosyl 2,3,4,6-tetrakis-)
250	Concentration	Conc	relative units	Rickert, Esther	411.37(20.754,Lanost-8-en-3-one)
251	Concentration	Conc	relative units	Rickert, Esther	411.37(20.814,C23 TMS)
252	Concentration	Conc	relative units	Rickert, Esther	204.1(20.897,Unknown)
253	Concentration	Conc	relative units	Rickert, Esther	411.37(20.974, Tricosanoic acid, n- (1TMS))
254	Concentration	Conc	relative units	Rickert, Esther	361.17(21.125,TREHALOSE TMS)
255	Concentration	Conc	relative units	Rickert, Esther	399.33(21.225,Unknown)
256	Concentration	Conc	relative units	Rickert, Esther	311.29(21.288,Stearic acid, 2-(1-octadecenyloxy)ethyl ester, (E)-)
257	Concentration	Conc	relative units	Rickert, Esther	237.09(21.445,Unknown)
258	Concentration	Conc	relative units	Rickert, Esther	352.16(21.458,Unknown)
259	Concentration	Conc	relative units	Rickert, Esther	425.38(21.572,Tetracosanoic acid, trimethylsilyl ester)
260	Concentration	Conc	relative units	Rickert, Esther	204.1(21.869,M000000_A287007-101-xxx_NA_2866,73_PRED_VAR5_ALK_NA)
261	Concentration	Conc	relative units	Rickert, Esther	474.39(21.936,delta-Tocopherol (1TMS))
262	Concentration	Conc	relative units	Rickert, Esther	439.4(21.999,Pentacosanoic acid (1TMS))
263	Concentration	Conc	relative units	Rickert, Esther	439.4(22.146,Pentacosanoic acid (1TMS))
264	Concentration	Conc	relative units	Rickert, Esther	488.41(22.43,Tocopherol-Ã§-tms-derivative )
265	Concentration	Conc	relative units	Rickert, Esther	453.42(22.504,Hexacosanoic acid (1TMS))
266	Concentration	Conc	relative units	Rickert, Esther	361.19(22.614,Unknown)
267	Concentration	Conc	relative units	Rickert, Esther	453.41(22.707,Hexacosanoic acid (1TMS))
268	Concentration	Conc	relative units	Rickert, Esther	467.43(23.108,Heptacosanoic acid, n- (1TMS))
269	Concentration	Conc	relative units	Rickert, Esther	467.43(23.251,Heptacosanoic acid, n- (1TMS))
270	Concentration	Conc	relative units	Rickert, Esther	237.13(23.292,Tocopherol, alpha- (1TMS))
271	Concentration	Conc	relative units	Rickert, Esther	368.35(23.382,Cholesterol trimethylsilyl ether)
272	Concentration	Conc	relative units	Rickert, Esther	397.38(23.508,Unknown)
273	Concentration	Conc	relative units	Rickert, Esther	481.45(23.856,Octacosanoic acid (1TMS))
274	Concentration	Conc	relative units	Rickert, Esther	469.41(24.056,Lanost-8-en-7-one, 3-(acetyloxy)-, (3Ã¡,13Ã ,14Ã¡,17Ã )-)
275	Concentration	Conc	relative units	Rickert, Esther	600.29(24.133,2,4,6,-Tris(4-n-dodecylphenoxy)-1,3,5-triazine)
276	Concentration	Conc	relative units	Rickert, Esther	309.17(24.22,Ã -Tocopherolhydroquinone, tris(trimethylsilyl) ether)
277	Concentration	Conc	relative units	Rickert, Esther	386.3(24.607,Fucosterol (1TMS))
278	Concentration	Conc	relative units	Rickert, Esther	473.4(24.738,Stigmastan-3-ol, (3-beta)- (1TMS))
279	Concentration	Conc	relative units	Rickert, Esther	509.45(25.315,Unknown)
280	Concentration	Conc	relative units	Rickert, Esther	204.1(28.41,Unknown)
281	Concentration	Conc	relative units	Rickert, Esther	204.11(28.81,Unknown)

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20160 data points

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