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Rickert, Esther; Wahl, Martin; Link, Heike; Richter, Hannes; Pohnert, Georg (2016): Seasonal variations in surface metabolite composition of Fucus vesiculosus sampled at outer Kiel Fjord (August 2012 - July 2013) [dataset]. PANGAEA, https://doi.org/10.1594/PANGAEA.864958, In supplement to: Rickert, E et al. (2016): Seasonal Variations in Surface Metabolite Composition of Fucus vesiculosus and Fucus serratus from the Baltic Sea. PLoS ONE, 11(12), e0168196, https://doi.org/10.1371/journal.pone.0168196

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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):
#NameShort NameUnitPrincipal InvestigatorMethod/DeviceComment
1DATE/TIMEDate/TimeRickert, EstherGeocode
2SpeciesSpeciesRickert, Esther
3Sample code/labelSample labelRickert, Esther
4ConcentrationConcrelative unitsRickert, Esther58(5.0629,??? 4-Hydroxybutanoic acid (2TMS))
5ConcentrationConcrelative unitsRickert, Esther75(5.0643,??? 4-Hydroxybutanoic acid (2TMS))
6ConcentrationConcrelative unitsRickert, Esther117.1(5.0857,??? 4-Hydroxybutanoic acid (2TMS))
7ConcentrationConcrelative unitsRickert, Esther85.1(5.1287,Unknown)
8ConcentrationConcrelative unitsRickert, Esther81(5.1414,Unknown)
9ConcentrationConcrelative unitsRickert, Esther85.1(5.146,??? n-Pentadecane)
10ConcentrationConcrelative unitsRickert, Esther57.1(5.1575,??? n-Dodecane)
11ConcentrationConcrelative unitsRickert, Esther71.1(5.1581,Unknown)
12ConcentrationConcrelative unitsRickert, Esther58(5.1888,??? EITTMS_N12C_ATHR_1234.3_1135EC44_)
13ConcentrationConcrelative unitsRickert, Esther140(5.1964,Unknown)
14ConcentrationConcrelative unitsRickert, Esther75(5.2088,Unknown)
15ConcentrationConcrelative unitsRickert, Esther197.1(5.2148,Unknown)
16ConcentrationConcrelative unitsRickert, Esther160(5.2714,??? 2-Methyl-2-butenedioic acid (2TMS))
17ConcentrationConcrelative unitsRickert, Esther117.1(5.3485,??? Fucose methoxyamine (4TMS))
18ConcentrationConcrelative unitsRickert, Esther136.1(5.436,Unknown)
19ConcentrationConcrelative unitsRickert, Esther60(5.4968,Unknown)
20ConcentrationConcrelative unitsRickert, Esther152.1(5.5702,Unknown)
21ConcentrationConcrelative unitsRickert, Esther117.1(5.5946,Unknown)
22ConcentrationConcrelative unitsRickert, Esther117.1(5.6029,??? EITTMS_N12C_STUT_1719.1_1135EC30_)
23ConcentrationConcrelative unitsRickert, Esther131.1(5.6106,??? EITTMS_N12C_STUT_1719.1_1135EC30_)
24ConcentrationConcrelative unitsRickert, Esther74(5.6586,Unknown)
25ConcentrationConcrelative unitsRickert, Esther89.5(5.6667,Unknown)
26ConcentrationConcrelative unitsRickert, Esther173.1(5.6881,??? EITTMS_N12C_STUT_1719.1_1135EC30_)
27ConcentrationConcrelative unitsRickert, Esther295.1(5.8095,Unknown)
28ConcentrationConcrelative unitsRickert, Esther207(5.8128,Unknown)
29ConcentrationConcrelative unitsRickert, Esther234.1(5.8739,??? EITTMS_N12C_STUO_2898.6_1135EC12_C17)
30ConcentrationConcrelative unitsRickert, Esther117.1(5.9033,??? 4-Hydroxybutanoic acid (2TMS))
31ConcentrationConcrelative unitsRickert, Esther117.1(5.9226,??? 4-Hydroxybutanoic acid (2TMS))
32ConcentrationConcrelative unitsRickert, Esther118.1(5.9263,??? 4-Hydroxybutanoic acid (2TMS))
33ConcentrationConcrelative unitsRickert, Esther175.1(6.0294,Unknown)
34ConcentrationConcrelative unitsRickert, Esther242(6.0515,Unknown)
35ConcentrationConcrelative unitsRickert, Esther173.1(6.0762,??? EITTMS_N12C_STUO_2898.6_1135EC12_C17)
36ConcentrationConcrelative unitsRickert, Esther186.1(6.122,??? Maleic acid (2TMS))
37ConcentrationConcrelative unitsRickert, Esther72.1(6.3417,Unknown)
38ConcentrationConcrelative unitsRickert, Esther198.1(6.4035,Unknown)
39ConcentrationConcrelative unitsRickert, Esther116.1(6.4079,?? Alanine (2TMS))
40ConcentrationConcrelative unitsRickert, Esther116.1(6.4145,?? Alanine (2TMS))
41ConcentrationConcrelative unitsRickert, Esther116.1(6.4516,? Alanine (2TMS))
42ConcentrationConcrelative unitsRickert, Esther204.1(6.4877,??? EITTMS_N12C_ATHR_2614.7_1135EC44_)
43ConcentrationConcrelative unitsRickert, Esther116.1(6.5001,? Alanine (2TMS))
44ConcentrationConcrelative unitsRickert, Esther154.9(6.5342,??? EITTMS_N12C_STUT_1549.0_1135EC30_[NA])
45ConcentrationConcrelative unitsRickert, Esther133.1(6.5993,??? beta-Alanine (3TMS))
46ConcentrationConcrelative unitsRickert, Esther133.1(6.6006,??? beta-Alanine (3TMS))
47ConcentrationConcrelative unitsRickert, Esther225.1(6.6735,Unknown)
48ConcentrationConcrelative unitsRickert, Esther133.1(6.9798,??? Maleic acid (2TMS))
49ConcentrationConcrelative unitsRickert, Esther148.1(7.0421,??? Succinic acid (2TMS))
50ConcentrationConcrelative unitsRickert, Esther174.1(7.1032,? Ethanolamine (3TMS))
51ConcentrationConcrelative unitsRickert, Esther75(7.2865,??? EITTMS_N12C_ATHR_1442.5_1135EC44_)
52ConcentrationConcrelative unitsRickert, Esther187.1(7.349,??? Suberic acid (2TMS))
53ConcentrationConcrelative unitsRickert, Esther75(7.352,??? Suberic acid (2TMS))
54ConcentrationConcrelative unitsRickert, Esther74(7.4705,??? EITTMS_N12C_ATHR_1234.3_1135EC44_)
55ConcentrationConcrelative unitsRickert, Esther68.1(7.4909,Unknown)
56ConcentrationConcrelative unitsRickert, Esther131.1(7.5766,??? Maleic acid (2TMS))
57ConcentrationConcrelative unitsRickert, Esther57.1(7.6107,??? EITTMS_N12C_ATHR_2052.2_1135EC06_)
58ConcentrationConcrelative unitsRickert, Esther210.1(7.6267,Unknown)
59ConcentrationConcrelative unitsRickert, Esther245.1(7.7775,? Fumaric acid (2TMS))
60ConcentrationConcrelative unitsRickert, Esther144.1(7.9342,Norvaline (2TMS))
61ConcentrationConcrelative unitsRickert, Esther160.1(7.9846,??? Xylose methoxyamine (4TMS))
62ConcentrationConcrelative unitsRickert, Esther369.1(8.0117,??? EITTMS_N12C_ATHR_1234.3_1135EC44_)
63ConcentrationConcrelative unitsRickert, Esther159.1(8.0538,??? EITTMS_N12C_STUT_1614.2_1135EC30_D1)
64ConcentrationConcrelative unitsRickert, Esther159.1(8.0568,??? EITTMS_N12C_STUT_1614.2_1135EC30_D1)
65ConcentrationConcrelative unitsRickert, Esther74(8.2674,Unknown)
66ConcentrationConcrelative unitsRickert, Esther117.1(8.2827,?? EITTMS_N12C_ATHR_2551.4_1135EC44_)
67ConcentrationConcrelative unitsRickert, Esther130.1(8.4072,??? Maleic acid (2TMS))
68ConcentrationConcrelative unitsRickert, Esther298.1(8.489,Unknown)
69ConcentrationConcrelative unitsRickert, Esther201.1(8.5347,??? EITTMS_N12C_ATHR_1442.5_1135EC44_)
70ConcentrationConcrelative unitsRickert, Esther174.1(8.5387,?? Ethanolamine (3TMS))
71ConcentrationConcrelative unitsRickert, Esther174.1(8.542,? Ethanolamine (3TMS))
72ConcentrationConcrelative unitsRickert, Esther186.1(8.6202,??? Proline (2TMS))
73ConcentrationConcrelative unitsRickert, Esther205.1(8.7124,Glycerol (3TMS))
74ConcentrationConcrelative unitsRickert, Esther186.1(8.8446,Unknown)
75ConcentrationConcrelative unitsRickert, Esther174.1(9.0608,Glycine (3TMS))
76ConcentrationConcrelative unitsRickert, Esther148.1(9.1296,Succinic acid (2TMS))
77ConcentrationConcrelative unitsRickert, Esther75(9.1351,Succinic acid (2TMS))
78ConcentrationConcrelative unitsRickert, Esther184(9.3297,??? EITTMS_N12C_ATHR_1358.9_1135EC06_)
79ConcentrationConcrelative unitsRickert, Esther186(9.3424,Unknown)
80ConcentrationConcrelative unitsRickert, Esther292.1(9.4028,Glyceric acid (3TMS))
81ConcentrationConcrelative unitsRickert, Esther75(9.4695,? 2-Methyl-2-butenedioic acid (2TMS))
82ConcentrationConcrelative unitsRickert, Esther240.1(9.5246,??? Maleic acid (2TMS))
83ConcentrationConcrelative unitsRickert, Esther240.1(9.5269,Unknown)
84ConcentrationConcrelative unitsRickert, Esther240.1(9.534,??? Maleic acid (2TMS))
85ConcentrationConcrelative unitsRickert, Esther245.1(9.5373,?? Maleic acid (2TMS))
86ConcentrationConcrelative unitsRickert, Esther117.1(9.578,??? Threonic acid (4TMS))
87ConcentrationConcrelative unitsRickert, Esther117(9.6665,? Nonanoic acid (1TMS))
88ConcentrationConcrelative unitsRickert, Esther75(9.6691,? Nonanoic acid (1TMS))
89ConcentrationConcrelative unitsRickert, Esther188.1(9.6992,Unknown)
90ConcentrationConcrelative unitsRickert, Esther221.1(9.7235,??? trans-o-Coumaric acid (2TMS))
91ConcentrationConcrelative unitsRickert, Esther160(9.7318,??? 2-Methyl-2-butenedioic acid (2TMS))
92ConcentrationConcrelative unitsRickert, Esther160.1(9.8003,Unknown)
93ConcentrationConcrelative unitsRickert, Esther247.1(9.8142,Threonic acid-1,4-lactone (2TMS), trans-)
94ConcentrationConcrelative unitsRickert, Esther75(9.8186,Threonic acid-1,4-lactone (2TMS), trans-)
95ConcentrationConcrelative unitsRickert, Esther191.1(10.1651,??? EITTMS_N12C_STUL_2790.2_1135EC28_G)
96ConcentrationConcrelative unitsRickert, Esther191.1(10.1664,??? EITTMS_N12C_STUL_2790.2_1135EC28_G)
97ConcentrationConcrelative unitsRickert, Esther174.1(10.1858,? EITTMS_N12C_STUO_2898.6_1135EC12_C17)
98ConcentrationConcrelative unitsRickert, Esther103.1(10.3462,??? 2,4-Bishydroxybutanoic acid (3TMS))
99ConcentrationConcrelative unitsRickert, Esther103.1(10.3505,??? Glycerol (3TMS))
100ConcentrationConcrelative unitsRickert, Esther248.1(10.4635,beta-Alanine (3TMS))
101ConcentrationConcrelative unitsRickert, Esther205.1(10.5353,? EITTMS_N12C_ATHR_1442.5_1135EC44_)
102ConcentrationConcrelative unitsRickert, Esther174.1(10.758,??? 5-Aminovaleric acid (3TMS))
103ConcentrationConcrelative unitsRickert, Esther174.1(10.7638,??? 5-Aminovaleric acid (3TMS))
104ConcentrationConcrelative unitsRickert, Esther350.1(10.8024,??? Maleic acid (2TMS))
105ConcentrationConcrelative unitsRickert, Esther259.1(10.9729,?? 2-Methyl-2-butenedioic acid (2TMS))
106ConcentrationConcrelative unitsRickert, Esther247.1(10.9742,? Citramalic acid (3TMS))
107ConcentrationConcrelative unitsRickert, Esther234.1(11.055,EITTMS_N12C_ATHR_1480.5_1135EC44_)
108ConcentrationConcrelative unitsRickert, Esther57.1(11.217,n-Pentadecane)
109ConcentrationConcrelative unitsRickert, Esther205.2(11.2671,??? Glycerol (3TMS))
110ConcentrationConcrelative unitsRickert, Esther205.2(11.2714,??? Erythrose methoxyamine {BP} (3TMS))
111ConcentrationConcrelative unitsRickert, Esther228.1(11.2801,??? EITTMS_N12C_ATHR_1436.4_1135EC44_)
112ConcentrationConcrelative unitsRickert, Esther369.2(11.2931,Unknown)
113ConcentrationConcrelative unitsRickert, Esther217.1(11.3268,Threitol (4TMS))
114ConcentrationConcrelative unitsRickert, Esther205.1(11.3288,Threitol (4TMS))
115ConcentrationConcrelative unitsRickert, Esther237.1(11.3835,Unknown)
116ConcentrationConcrelative unitsRickert, Esther217.1(11.4056,Threitol (4TMS))
117ConcentrationConcrelative unitsRickert, Esther156.1(11.4119,Pyroglutamic acid (2TMS))
118ConcentrationConcrelative unitsRickert, Esther156.1(11.4196,Pyroglutamic acid (2TMS))
119ConcentrationConcrelative unitsRickert, Esther244.1(11.435,Unknown)
120ConcentrationConcrelative unitsRickert, Esther84(11.58,??? N-Acetylglutamic acid (2TMS))
121ConcentrationConcrelative unitsRickert, Esther75(11.5994,?? N-Acetylglutamic acid (2TMS))
122ConcentrationConcrelative unitsRickert, Esther292.1(11.7422,Erythronic acid (4TMS))
123ConcentrationConcrelative unitsRickert, Esther117.1(11.841,?? Glycerol (3TMS))
124ConcentrationConcrelative unitsRickert, Esther293.1(11.8898,Erythronic acid (4TMS))
125ConcentrationConcrelative unitsRickert, Esther292.1(11.9014,Erythronic acid (4TMS))
126ConcentrationConcrelative unitsRickert, Esther217.1(12.2683,? EITTMS_N12C_ATHR_1770.9_1135EC25_)
127ConcentrationConcrelative unitsRickert, Esther217.1(12.2769,? EITTMS_N12C_ATHR_1770.9_1135EC25_)
128ConcentrationConcrelative unitsRickert, Esther229.1(12.5327,Unknown)
129ConcentrationConcrelative unitsRickert, Esther327.1(12.6597,??? Trishydroxybenzene (3TMS))
130ConcentrationConcrelative unitsRickert, Esther103.1(12.7728,Xylose methoxyamine (4TMS))
131ConcentrationConcrelative unitsRickert, Esther103.1(12.8373,Xylose methoxyamine (4TMS))
132ConcentrationConcrelative unitsRickert, Esther103.1(12.8931,Xylose methoxyamine (4TMS))
133ConcentrationConcrelative unitsRickert, Esther205.1(13.0398,?? Erythrose methoxyamine {BP} (3TMS))
134ConcentrationConcrelative unitsRickert, Esther277.2(13.0849,Unknown)
135ConcentrationConcrelative unitsRickert, Esther97.1(13.2184,??? Squalene)
136ConcentrationConcrelative unitsRickert, Esther319.2(13.2568,Pentitol (5TMS))
137ConcentrationConcrelative unitsRickert, Esther217.1(13.3252,Xylitol (5TMS))
138ConcentrationConcrelative unitsRickert, Esther117.1(13.4064,??? Rhamnose methoxyamine (4TMS))
139ConcentrationConcrelative unitsRickert, Esther217.1(13.4386,Xylitol (5TMS))
140ConcentrationConcrelative unitsRickert, Esther149(13.5205,? Xylitol (5TMS))
141ConcentrationConcrelative unitsRickert, Esther117.1(13.6054,??? Rhamnose methoxyamine (4TMS))
142ConcentrationConcrelative unitsRickert, Esther229.1(13.6337,??? cis-Aconitic acid (3TMS))
143ConcentrationConcrelative unitsRickert, Esther431.2(13.7596,??? EITTMS_N12C_ATHR_1795.4_1135EC44_)
144ConcentrationConcrelative unitsRickert, Esther292.1(13.8643,Pentonic acid (5TMS))
145ConcentrationConcrelative unitsRickert, Esther319.2(13.8814,?? EITTMS_N12C_ATHR_2105.0_1135EC25_)
146ConcentrationConcrelative unitsRickert, Esther292.1(13.9478,Pentonic acid (5TMS))
147ConcentrationConcrelative unitsRickert, Esther296.1(13.9933,??? Mannitol (6TMS))
148ConcentrationConcrelative unitsRickert, Esther57.1(14.1178,??? n-Pentadecane)
149ConcentrationConcrelative unitsRickert, Esther75(14.2038,? Tetradecanoic acid (1TMS))
150ConcentrationConcrelative unitsRickert, Esther117.1(14.2446,?? Glucaric acid (6TMS))
151ConcentrationConcrelative unitsRickert, Esther273.1(14.2997,Citric acid (4TMS))
152ConcentrationConcrelative unitsRickert, Esther245.1(14.3108,??? Fumaric acid (2TMS))
153ConcentrationConcrelative unitsRickert, Esther117.1(14.3549,Galactaric acid (6TMS))
154ConcentrationConcrelative unitsRickert, Esther384.2(14.3913,Unknown)
155ConcentrationConcrelative unitsRickert, Esther384.2(14.3953,Unknown)
156ConcentrationConcrelative unitsRickert, Esther82.1(14.4375,??? Glycerol (3TMS))
157ConcentrationConcrelative unitsRickert, Esther285.2(14.5196,Tetradecanoic acid (1TMS))
158ConcentrationConcrelative unitsRickert, Esther205.1(14.6821,??? EITTMS_N12C_ATHR_1744.9_1135EC44_B5)
159ConcentrationConcrelative unitsRickert, Esther103.1(14.7473,Psicose methoxyamine (5TMS))
160ConcentrationConcrelative unitsRickert, Esther103.1(14.8061,? Psicose methoxyamine {BP} (5TMS))
161ConcentrationConcrelative unitsRickert, Esther217.1(14.8626,? Galactose methoxyamine (5TMS))
162ConcentrationConcrelative unitsRickert, Esther319.2(14.9053,Allose methoxyamine (5TMS))
163ConcentrationConcrelative unitsRickert, Esther319.2(14.9541,Galactose methoxyamine (5TMS))
164ConcentrationConcrelative unitsRickert, Esther205.1(14.9547,Idose methoxyamine (5TMS))
165ConcentrationConcrelative unitsRickert, Esther57.1(14.9761,n-Nonadecane)
166ConcentrationConcrelative unitsRickert, Esther299.2(15.0495,?? Pentadecanoic acid (1TMS))
167ConcentrationConcrelative unitsRickert, Esther117(15.0519,?? Pentadecanoic acid (1TMS))
168ConcentrationConcrelative unitsRickert, Esther319.2(15.0846,? Sorbitol (6TMS); Glucitol (6TMS))
169ConcentrationConcrelative unitsRickert, Esther217.1(15.0883,? Mannitol (6TMS))
170ConcentrationConcrelative unitsRickert, Esther160.1(15.1102,Gulose methoxyamine {BP} (5TMS))
171ConcentrationConcrelative unitsRickert, Esther59(15.2068,Unknown)
172ConcentrationConcrelative unitsRickert, Esther318.9(15.2215,? Mannitol (6TMS))
173ConcentrationConcrelative unitsRickert, Esther320(15.2439,??? Glucose methoxyamine (5TMS))
174ConcentrationConcrelative unitsRickert, Esther204(15.2552,??? EITTMS_N12C_STUF_1968.0_1135EC32_G)
175ConcentrationConcrelative unitsRickert, Esther72(15.2718,??? D(-)-Quinic acid (5TMS))
176ConcentrationConcrelative unitsRickert, Esther117(15.2833,??? Glucose methoxyamine (5TMS))
177ConcentrationConcrelative unitsRickert, Esther75(15.2969,??? Hexitol (6TMS); B6)
178ConcentrationConcrelative unitsRickert, Esther134(15.306,??? Galactitol (6TMS))
179ConcentrationConcrelative unitsRickert, Esther132.9(15.3133,Unknown)
180ConcentrationConcrelative unitsRickert, Esther75(15.3214,Mannitol (6TMS))
181ConcentrationConcrelative unitsRickert, Esther75(15.3354,??? Galactitol (6TMS))
182ConcentrationConcrelative unitsRickert, Esther319.2(15.3437,Mannitol (6TMS))
183ConcentrationConcrelative unitsRickert, Esther375.2(15.3675,Unknown)
184ConcentrationConcrelative unitsRickert, Esther375.2(15.4078,Unknown)
185ConcentrationConcrelative unitsRickert, Esther217.1(15.4105,?? Threitol (4TMS))
186ConcentrationConcrelative unitsRickert, Esther375.2(15.4175,Unknown)
187ConcentrationConcrelative unitsRickert, Esther187.1(15.4309,Unknown)
188ConcentrationConcrelative unitsRickert, Esther299.3(15.4616,??? Phosphoric acid (3TMS))
189ConcentrationConcrelative unitsRickert, Esther247.1(15.4753,??? Galactitol (6TMS))
190ConcentrationConcrelative unitsRickert, Esther217.1(15.5548,??? Galactitol (6TMS))
191ConcentrationConcrelative unitsRickert, Esther218.1(15.5774,??? L(+)-Ascorbic acid (4TMS))
192ConcentrationConcrelative unitsRickert, Esther217.1(15.6536,?? L(+)-Galactono-1,4-lactone (4TMS))
193ConcentrationConcrelative unitsRickert, Esther175.1(15.751,? Mannitol (6TMS))
194ConcentrationConcrelative unitsRickert, Esther289.1(15.7808,Unknown)
195ConcentrationConcrelative unitsRickert, Esther247.1(15.7939,Unknown)
196ConcentrationConcrelative unitsRickert, Esther175.1(15.8102,? Galactitol (6TMS))
197ConcentrationConcrelative unitsRickert, Esther175.1(15.8222,? Mannitol (6TMS))
198ConcentrationConcrelative unitsRickert, Esther319.2(15.8941,? Galactonic acid (6TMS))
199ConcentrationConcrelative unitsRickert, Esther231.1(15.9789,??? Sorbitol (6TMS); Glucitol (6TMS))
200ConcentrationConcrelative unitsRickert, Esther231.1(15.9819,??? Sorbitol (6TMS); Glucitol (6TMS))
201ConcentrationConcrelative unitsRickert, Esther311.2(15.9872,? 9-(Z)-Hexadecenoic acid (1TMS))
202ConcentrationConcrelative unitsRickert, Esther333.1(16.0374,Gluconic acid (6TMS))
203ConcentrationConcrelative unitsRickert, Esther97.1(16.0625,Unknown)
204ConcentrationConcrelative unitsRickert, Esther217.1(16.1053,myo-Inositol (6TMS))
205ConcentrationConcrelative unitsRickert, Esther203.1(16.129,Unknown)
206ConcentrationConcrelative unitsRickert, Esther313.3(16.1515,? Hexadecanoic acid (1TMS))
207ConcentrationConcrelative unitsRickert, Esther217.1(16.2726,?? Threitol (4TMS))
208ConcentrationConcrelative unitsRickert, Esther204.1(16.4408,? EITTMS_N12C_ATHR_1967.6_1135EC44_G)
209ConcentrationConcrelative unitsRickert, Esther204.1(16.4421,?? 1-Methyl-alpha-D-glucopyranoside (4TMS))
210ConcentrationConcrelative unitsRickert, Esther231.1(16.4558,??? EITTMS_N12C_ATHR_3088.4_1164CC65_)
211ConcentrationConcrelative unitsRickert, Esther305.1(16.4652,??? myo-Inositol (6TMS))
212ConcentrationConcrelative unitsRickert, Esther112.1(16.525,??? EITTMS_N12C_ATHR_2551.4_1135EC44_)
213ConcentrationConcrelative unitsRickert, Esther60(16.5323,Unknown)
214ConcentrationConcrelative unitsRickert, Esther305.1(16.5931,myo-Inositol (6TMS))
215ConcentrationConcrelative unitsRickert, Esther151(16.7663,Unknown)
216ConcentrationConcrelative unitsRickert, Esther87(16.7937,??? n-Nonadecanoic acid methyl ester)
217ConcentrationConcrelative unitsRickert, Esther319.2(16.8335,?? Sorbitol (6TMS); Glucitol (6TMS))
218ConcentrationConcrelative unitsRickert, Esther319.2(16.9704,? Mannitol (6TMS))
219ConcentrationConcrelative unitsRickert, Esther319.2(17.0189,? EITTMS_N12C_ATHR_2105.0_1135EC25_)
220ConcentrationConcrelative unitsRickert, Esther167(17.1645,Unknown)
221ConcentrationConcrelative unitsRickert, Esther168(17.2193,Unknown)
222ConcentrationConcrelative unitsRickert, Esther319(17.2757,?? Mannitol (6TMS))
223ConcentrationConcrelative unitsRickert, Esther221(17.2856,?? Mannitol (6TMS))
224ConcentrationConcrelative unitsRickert, Esther319(17.3001,??? Mannitol (6TMS))
225ConcentrationConcrelative unitsRickert, Esther57.1(17.3578,n-Docosane)
226ConcentrationConcrelative unitsRickert, Esther128.1(17.3919,Unknown)
227ConcentrationConcrelative unitsRickert, Esther167(17.4072,Unknown)
228ConcentrationConcrelative unitsRickert, Esther167(17.4256,Unknown)
229ConcentrationConcrelative unitsRickert, Esther145.1(17.4626,??? 9-(Z)-Octadecenoic acid (1TMS))
230ConcentrationConcrelative unitsRickert, Esther95.1(17.473,??? 9-(Z)-Octadecenoic acid (1TMS))
231ConcentrationConcrelative unitsRickert, Esther67.1(17.5146,Unknown)
232ConcentrationConcrelative unitsRickert, Esther75(17.5166,??? Octadecenoic acid (1TMS))
233ConcentrationConcrelative unitsRickert, Esther217.1(17.599,Unknown)
234ConcentrationConcrelative unitsRickert, Esther75(17.6083,??? Hexitol (6TMS); B6)
235ConcentrationConcrelative unitsRickert, Esther117(17.6594,? Octadecanoic acid (1TMS))
236ConcentrationConcrelative unitsRickert, Esther75(17.7495,??? Glucopyranose (5TMS))
237ConcentrationConcrelative unitsRickert, Esther67.1(17.7936,Unknown)
238ConcentrationConcrelative unitsRickert, Esther91.1(17.8405,Unknown)
239ConcentrationConcrelative unitsRickert, Esther131(17.945,Unknown)
240ConcentrationConcrelative unitsRickert, Esther82.1(17.9964,Unknown)
241ConcentrationConcrelative unitsRickert, Esther682.3(18.096,Unknown)
242ConcentrationConcrelative unitsRickert, Esther682.3(18.1097,Unknown)
243ConcentrationConcrelative unitsRickert, Esther75(18.118,Unknown)
244ConcentrationConcrelative unitsRickert, Esther67.1(18.1468,Unknown)
245ConcentrationConcrelative unitsRickert, Esther167(18.1621,Unknown)
246ConcentrationConcrelative unitsRickert, Esther55.1(18.1735,Unknown)
247ConcentrationConcrelative unitsRickert, Esther117.1(18.1834,Unknown)
248ConcentrationConcrelative unitsRickert, Esther204.1(18.2586,??? EITTMS_N12C_ATHR_2614.7_1135EC44_)
249ConcentrationConcrelative unitsRickert, Esther204.1(18.2641,??? EITTMS_N12C_ATHR_1967.6_1135EC44_G)
250ConcentrationConcrelative unitsRickert, Esther108(18.3399,Unknown)
251ConcentrationConcrelative unitsRickert, Esther81.1(18.3742,Unknown)
252ConcentrationConcrelative unitsRickert, Esther75(18.396,Unknown)
253ConcentrationConcrelative unitsRickert, Esther57.1(18.4157,Unknown)
254ConcentrationConcrelative unitsRickert, Esther97.1(18.4251,Unknown)
255ConcentrationConcrelative unitsRickert, Esther58(18.5082,Unknown)
256ConcentrationConcrelative unitsRickert, Esther75(18.6123,Unknown)
257ConcentrationConcrelative unitsRickert, Esther131(18.6496,Unknown)
258ConcentrationConcrelative unitsRickert, Esther95.1(18.671,Unknown)
259ConcentrationConcrelative unitsRickert, Esther148.1(18.6917,??? EITTMS_N12C_ATHR_2396.9_1135EC44_)
260ConcentrationConcrelative unitsRickert, Esther58(18.698,Unknown)
261ConcentrationConcrelative unitsRickert, Esther83.1(18.7391,??? Asparagine (3TMS))
262ConcentrationConcrelative unitsRickert, Esther109.1(18.7704,Unknown)
263ConcentrationConcrelative unitsRickert, Esther99.1(18.8012,Unknown)
264ConcentrationConcrelative unitsRickert, Esther75(19.0175,Unknown)
265ConcentrationConcrelative unitsRickert, Esther71.1(19.07,Unknown)
266ConcentrationConcrelative unitsRickert, Esther56.1(19.1034,Unknown)
267ConcentrationConcrelative unitsRickert, Esther131(19.1077,Unknown)
268ConcentrationConcrelative unitsRickert, Esther55.1(19.1274,??? n-Pentadecane)
269ConcentrationConcrelative unitsRickert, Esther97.1(19.1568,Unknown)
270ConcentrationConcrelative unitsRickert, Esther75(19.3473,Unknown)
271ConcentrationConcrelative unitsRickert, Esther97.1(19.3559,Unknown)
272ConcentrationConcrelative unitsRickert, Esther75(19.4391,Unknown)
273ConcentrationConcrelative unitsRickert, Esther57.1(19.4458,Unknown)
274ConcentrationConcrelative unitsRickert, Esther56.1(19.4725,Unknown)
275ConcentrationConcrelative unitsRickert, Esther57.1(19.6332,Unknown)
276ConcentrationConcrelative unitsRickert, Esther68.1(19.6828,Unknown)
277ConcentrationConcrelative unitsRickert, Esther82.1(19.6932,Unknown)
278ConcentrationConcrelative unitsRickert, Esther71.1(19.7056,Unknown)
279ConcentrationConcrelative unitsRickert, Esther91.1(19.7734,Unknown)
280ConcentrationConcrelative unitsRickert, Esther97.1(19.8004,Unknown)
281ConcentrationConcrelative unitsRickert, Esther57.1(19.9169,Unknown)
282ConcentrationConcrelative unitsRickert, Esther57.1(19.9392,Unknown)
283ConcentrationConcrelative unitsRickert, Esther371.3(20.0066,??? 1-Monohexadecanoylglycerol (2TMS))
284ConcentrationConcrelative unitsRickert, Esther145.1(20.0466,Unknown)
285ConcentrationConcrelative unitsRickert, Esther283.3(20.058,Unknown)
286ConcentrationConcrelative unitsRickert, Esther101(20.071,Unknown)
287ConcentrationConcrelative unitsRickert, Esther56.1(20.0967,Unknown)
288ConcentrationConcrelative unitsRickert, Esther57.1(20.1124,??? Tyrosine (2TMS))
289ConcentrationConcrelative unitsRickert, Esther85.1(20.1151,Unknown)
290ConcentrationConcrelative unitsRickert, Esther95.1(20.1234,Unknown)
291ConcentrationConcrelative unitsRickert, Esther125.1(20.1437,Unknown)
292ConcentrationConcrelative unitsRickert, Esther56.1(20.1668,Unknown)
293ConcentrationConcrelative unitsRickert, Esther95(20.2417,Unknown)
294ConcentrationConcrelative unitsRickert, Esther58(20.2808,Unknown)
295ConcentrationConcrelative unitsRickert, Esther96.1(20.3037,Unknown)
296ConcentrationConcrelative unitsRickert, Esther131(20.3371,Unknown)
297ConcentrationConcrelative unitsRickert, Esther109.1(20.3671,Unknown)
298ConcentrationConcrelative unitsRickert, Esther55.1(20.3938,Unknown)
299ConcentrationConcrelative unitsRickert, Esther57.1(20.4128,Unknown)
300ConcentrationConcrelative unitsRickert, Esther117(20.4306,??? Melezitose (11TMS))
301ConcentrationConcrelative unitsRickert, Esther273(20.4439,?? Sucrose (8TMS))
302ConcentrationConcrelative unitsRickert, Esther361.2(20.455,Sucrose (8TMS); alpha-D-Glc-(1,2)-beta-D-Fru)
303ConcentrationConcrelative unitsRickert, Esther217(20.4649,??? EITTMS_N12C_STUO_1953.9_1135EC31_G)
304ConcentrationConcrelative unitsRickert, Esther231.1(20.4944,Unknown)
305ConcentrationConcrelative unitsRickert, Esther363.2(20.5118,??? EITTMS_N12C_STUT_2832.4_1135EC30_)
306ConcentrationConcrelative unitsRickert, Esther131(20.6138,Unknown)
307ConcentrationConcrelative unitsRickert, Esther75(20.7279,Unknown)
308ConcentrationConcrelative unitsRickert, Esther131(20.7577,Unknown)
309ConcentrationConcrelative unitsRickert, Esther75(20.8984,? EITTMS_N12C_STUT_2832.4_1135EC30_)
310ConcentrationConcrelative unitsRickert, Esther205.1(20.9086,??? EITTMS_N12C_ATHR_1967.6_1135EC44_G)
311ConcentrationConcrelative unitsRickert, Esther97.1(20.9421,Unknown)
312ConcentrationConcrelative unitsRickert, Esther55.1(21.0586,Unknown)
313ConcentrationConcrelative unitsRickert, Esther220(21.0753,Unknown)
314ConcentrationConcrelative unitsRickert, Esther58(21.0857,??? Sucrose (6TMS))
315ConcentrationConcrelative unitsRickert, Esther109.1(21.112,Unknown)
316ConcentrationConcrelative unitsRickert, Esther204.1(21.132,Unknown)
317ConcentrationConcrelative unitsRickert, Esther361.2(21.1367,? Sucrose (8TMS))
318ConcentrationConcrelative unitsRickert, Esther311.3(21.2855,??? 9-(Z)-Hexadecenoic acid (1TMS))
319ConcentrationConcrelative unitsRickert, Esther95.1(21.3092,Unknown)
320ConcentrationConcrelative unitsRickert, Esther116.1(21.3188,Unknown)
321ConcentrationConcrelative unitsRickert, Esther57.1(21.3589,n-Octacosane)
322ConcentrationConcrelative unitsRickert, Esther204.1(21.4089,??? Glucopyranose (5TMS))
323ConcentrationConcrelative unitsRickert, Esther83.1(21.4289,Unknown)
324ConcentrationConcrelative unitsRickert, Esther75(21.4477,Unknown)
325ConcentrationConcrelative unitsRickert, Esther57.1(21.4627,Unknown)
326ConcentrationConcrelative unitsRickert, Esther81.1(21.7622,Unknown)
327ConcentrationConcrelative unitsRickert, Esther75(21.7832,Unknown)
328ConcentrationConcrelative unitsRickert, Esther75(21.8059,Unknown)
329ConcentrationConcrelative unitsRickert, Esther132(21.8116,??? 5-Aminocarboxy-4,6-dihydroxypyrimidine)
330ConcentrationConcrelative unitsRickert, Esther217.1(21.8825,Unknown)
331ConcentrationConcrelative unitsRickert, Esther204.1(21.8922,?? EITTMS_N12C_STUT_2832.4_1135EC30_)
332ConcentrationConcrelative unitsRickert, Esther103.1(21.8945,??? Glucopyranose (5TMS))
333ConcentrationConcrelative unitsRickert, Esther205.1(21.9038,??? Isomaltose methoxyamine (8TMS))
334ConcentrationConcrelative unitsRickert, Esther474.4(21.9424,Unknown)
335ConcentrationConcrelative unitsRickert, Esther55.1(22.057,Unknown)
336ConcentrationConcrelative unitsRickert, Esther75(22.076,Unknown)
337ConcentrationConcrelative unitsRickert, Esther169(22.1896,Unknown)
338ConcentrationConcrelative unitsRickert, Esther131(22.2526,Unknown)
339ConcentrationConcrelative unitsRickert, Esther56.1(22.3078,Unknown)
340ConcentrationConcrelative unitsRickert, Esther192(22.4343,Unknown)
341ConcentrationConcrelative unitsRickert, Esther70(22.6512,Unknown)
342ConcentrationConcrelative unitsRickert, Esther85.1(22.688,Unknown)
343ConcentrationConcrelative unitsRickert, Esther131(22.6936,Unknown)
344ConcentrationConcrelative unitsRickert, Esther131(22.8105,Unknown)
345ConcentrationConcrelative unitsRickert, Esther58(22.8242,Unknown)
346ConcentrationConcrelative unitsRickert, Esther97.1(22.9251,Unknown)
347ConcentrationConcrelative unitsRickert, Esther113.1(22.9438,??? EITTMS_N12C_ATHR_1234.3_1135EC44_)
348ConcentrationConcrelative unitsRickert, Esther131(23.0478,Unknown)
349ConcentrationConcrelative unitsRickert, Esther99.1(23.0554,Unknown)
350ConcentrationConcrelative unitsRickert, Esther75(23.0925,Unknown)
351ConcentrationConcrelative unitsRickert, Esther131(23.1523,Unknown)
352ConcentrationConcrelative unitsRickert, Esther103.1(23.2563,Unknown)
353ConcentrationConcrelative unitsRickert, Esther282.1(23.2742,Unknown)
354ConcentrationConcrelative unitsRickert, Esther75(23.3181,Unknown)
355ConcentrationConcrelative unitsRickert, Esther135.1(23.3728,??? EITTMS_N12C_ATHR_1476.1_1135EC06_[Contamination])
356ConcentrationConcrelative unitsRickert, Esther173.1(23.3828,Unknown)
357ConcentrationConcrelative unitsRickert, Esther109.1(23.3932,Unknown)
358ConcentrationConcrelative unitsRickert, Esther75(23.4208,Unknown)
359ConcentrationConcrelative unitsRickert, Esther75(23.5241,Unknown)
360ConcentrationConcrelative unitsRickert, Esther97.1(23.5431,Unknown)
361ConcentrationConcrelative unitsRickert, Esther111.1(23.6333,Unknown)
362ConcentrationConcrelative unitsRickert, Esther57.1(23.6503,? n-Octacosane)
363ConcentrationConcrelative unitsRickert, Esther225.3(23.6766,Unknown)
364ConcentrationConcrelative unitsRickert, Esther95.1(23.69,Unknown)
365ConcentrationConcrelative unitsRickert, Esther58(23.8335,Unknown)
366ConcentrationConcrelative unitsRickert, Esther58(23.8435,Unknown)
367ConcentrationConcrelative unitsRickert, Esther150(23.8735,Unknown)
368ConcentrationConcrelative unitsRickert, Esther207(23.9349,Unknown)
369ConcentrationConcrelative unitsRickert, Esther81.1(23.9569,Unknown)
370ConcentrationConcrelative unitsRickert, Esther67.1(23.974,Unknown)
371ConcentrationConcrelative unitsRickert, Esther55.1(23.9836,Unknown)
372ConcentrationConcrelative unitsRickert, Esther75(24.0221,Unknown)
373ConcentrationConcrelative unitsRickert, Esther75(24.0404,Unknown)
374ConcentrationConcrelative unitsRickert, Esther131(24.0938,Unknown)
375ConcentrationConcrelative unitsRickert, Esther191(24.1338,Unknown)
376ConcentrationConcrelative unitsRickert, Esther81.1(24.1906,Unknown)
377ConcentrationConcrelative unitsRickert, Esther220(24.3981,Unknown)
378ConcentrationConcrelative unitsRickert, Esther207(24.44,Unknown)
379ConcentrationConcrelative unitsRickert, Esther53(24.5681,Unknown)
380ConcentrationConcrelative unitsRickert, Esther296.3(24.5881,?? EITTMS_N12C_NTAR_3390.2_1135EC27_S)
381ConcentrationConcrelative unitsRickert, Esther129.1(24.5935,?? EITTMS_N12C_NTAR_3390.2_1135EC27_S)
382ConcentrationConcrelative unitsRickert, Esther70.1(24.6051,??? EITTMS_N12C_NTAR_3390.2_1135EC27_S)
383ConcentrationConcrelative unitsRickert, Esther157.1(24.6185,Unknown)
384ConcentrationConcrelative unitsRickert, Esther107.1(24.6418,Unknown)
385ConcentrationConcrelative unitsRickert, Esther141.9(24.6849,Unknown)
386ConcentrationConcrelative unitsRickert, Esther216.2(24.7187,Unknown)
387ConcentrationConcrelative unitsRickert, Esther57.1(24.7223,Unknown)
388ConcentrationConcrelative unitsRickert, Esther257.2(24.7319,Unknown)
389ConcentrationConcrelative unitsRickert, Esther129.1(24.7517,Unknown)
390ConcentrationConcrelative unitsRickert, Esther220(24.9523,Unknown)
391ConcentrationConcrelative unitsRickert, Esther99.1(25.0254,Unknown)
392ConcentrationConcrelative unitsRickert, Esther131(25.042,Unknown)
393ConcentrationConcrelative unitsRickert, Esther61(25.0754,Unknown)
394ConcentrationConcrelative unitsRickert, Esther133(25.1722,Unknown)
395ConcentrationConcrelative unitsRickert, Esther75(25.1889,Unknown)
396ConcentrationConcrelative unitsRickert, Esther91.1(25.299,Unknown)
397ConcentrationConcrelative unitsRickert, Esther156.1(25.3531,Unknown)
398ConcentrationConcrelative unitsRickert, Esther76(25.4773,Unknown)
399ConcentrationConcrelative unitsRickert, Esther265(25.5397,Unknown)
400ConcentrationConcrelative unitsRickert, Esther207(25.6015,Unknown)
401ConcentrationConcrelative unitsRickert, Esther208.1(25.6781,Unknown)
402ConcentrationConcrelative unitsRickert, Esther208(25.6807,Unknown)
403ConcentrationConcrelative unitsRickert, Esther68.1(25.7532,Unknown)
404ConcentrationConcrelative unitsRickert, Esther-1(25.7786,Unknown)
405ConcentrationConcrelative unitsRickert, Esther355.1(25.8468,Unknown)
406ConcentrationConcrelative unitsRickert, Esther131(25.8762,Unknown)
407ConcentrationConcrelative unitsRickert, Esther67.1(25.8802,Unknown)
408ConcentrationConcrelative unitsRickert, Esther131(26.19,Unknown)
409ConcentrationConcrelative unitsRickert, Esther61(26.3048,Unknown)
410ConcentrationConcrelative unitsRickert, Esther58(26.3721,Unknown)
411ConcentrationConcrelative unitsRickert, Esther220(26.4011,Unknown)
412ConcentrationConcrelative unitsRickert, Esther198.6(26.4345,Unknown)
413ConcentrationConcrelative unitsRickert, Esther62(26.4916,Unknown)
414ConcentrationConcrelative unitsRickert, Esther75(26.5613,??? Glucopyranose (5TMS))
415ConcentrationConcrelative unitsRickert, Esther59(26.6815,Unknown)
416ConcentrationConcrelative unitsRickert, Esther-1(26.7746,Unknown)
417ConcentrationConcrelative unitsRickert, Esther70.1(26.9252,Unknown)
418ConcentrationConcrelative unitsRickert, Esther57.1(26.9423,Unknown)
419ConcentrationConcrelative unitsRickert, Esther71.1(26.9556,??? n-Octacosane)
420ConcentrationConcrelative unitsRickert, Esther82.1(26.972,Unknown)
421ConcentrationConcrelative unitsRickert, Esther99.1(26.9823,Unknown)
422ConcentrationConcrelative unitsRickert, Esther55.1(26.9957,Unknown)
423ConcentrationConcrelative unitsRickert, Esther84.1(27.0053,Unknown)
424ConcentrationConcrelative unitsRickert, Esther99.1(27.0187,??? 1-Octadecanol (1TMS))
425ConcentrationConcrelative unitsRickert, Esther63(27.0658,Unknown)
426ConcentrationConcrelative unitsRickert, Esther282.1(27.1623,Unknown)
427ConcentrationConcrelative unitsRickert, Esther207(27.2072,Unknown)
428ConcentrationConcrelative unitsRickert, Esther207(27.2238,Unknown)
429ConcentrationConcrelative unitsRickert, Esther75(27.2529,Unknown)
430ConcentrationConcrelative unitsRickert, Esther327.1(27.2693,Unknown)
431ConcentrationConcrelative unitsRickert, Esther131(27.3101,Unknown)
432ConcentrationConcrelative unitsRickert, Esther105.1(27.3597,Unknown)
433ConcentrationConcrelative unitsRickert, Esther191(27.4466,Unknown)
434ConcentrationConcrelative unitsRickert, Esther207(27.4886,Unknown)
435ConcentrationConcrelative unitsRickert, Esther62(27.5131,Unknown)
436ConcentrationConcrelative unitsRickert, Esther133(27.5998,Unknown)
437ConcentrationConcrelative unitsRickert, Esther83.1(27.7236,Unknown)
438ConcentrationConcrelative unitsRickert, Esther91.1(27.817,Unknown)
439ConcentrationConcrelative unitsRickert, Esther131(27.8815,Unknown)
440ConcentrationConcrelative unitsRickert, Esther131(27.9782,Unknown)
441ConcentrationConcrelative unitsRickert, Esther148.1(28.1538,Unknown)
442ConcentrationConcrelative unitsRickert, Esther131(28.2781,Unknown)
443ConcentrationConcrelative unitsRickert, Esther131(28.3316,Unknown)
444ConcentrationConcrelative unitsRickert, Esther57.1(28.3542,Unknown)
445ConcentrationConcrelative unitsRickert, Esther76(28.4315,Unknown)
446ConcentrationConcrelative unitsRickert, Esther169(28.4745,Unknown)
447ConcentrationConcrelative unitsRickert, Esther131(28.6907,Unknown)
448ConcentrationConcrelative unitsRickert, Esther75(28.8088,Unknown)
449ConcentrationConcrelative unitsRickert, Esther131(28.9004,Unknown)
450ConcentrationConcrelative unitsRickert, Esther194(29.1056,Unknown)
451ConcentrationConcrelative unitsRickert, Esther131(29.2011,??? Trishydroxybenzene (3TMS))
452ConcentrationConcrelative unitsRickert, Esther97(29.3302,Unknown)
453ConcentrationConcrelative unitsRickert, Esther150(29.4963,Unknown)
454ConcentrationConcrelative unitsRickert, Esther75(29.5234,Unknown)
455ConcentrationConcrelative unitsRickert, Esther208(29.7502,Unknown)
456ConcentrationConcrelative unitsRickert, Esther131(29.83,Unknown)
Size:
31850 data points

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