MassBank Record: MSBNK-RIKEN_NPDepo-NGA05247
ACCESSION: MSBNK-RIKEN_NPDepo-NGA05247
RECORD_TITLE: 20-Hydroxyecdysone 2,3:20,22-diacetonide; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HOO]-
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: The sterols, Cholestanes
CH$NAME: 20-Hydroxyecdysone 2,3:20,22-diacetonide
CH$COMPOUND_CLASS: Steroids
CH$FORMULA: C33H52O7
CH$EXACT_MASS: 560.7782
CH$SMILES: CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@H]3CC[C@]12C
CH$IUPAC: InChI=1S/C33H52O7/c1-27(2,35)13-12-26-32(9,40-29(5,6)39-26)25-11-15-33(36)20-16-22(34)21-17-23-24(38-28(3,4)37-23)18-30(21,7)19(20)10-14-31(25,33)8/h16,19,21,23-26,35-36H,10-15,17-18H2,1-9H3/t19-,21-,23+,24-,25-,26+,30+,31+,32+,33+/m0/s1
CH$LINK: CAS
22798-98-7
CH$LINK: CHEMSPIDER
9257425
CH$LINK: INCHIKEY
WXFMGCVRGSIXOB-APTIWFLNSA-N
CH$LINK: PUBCHEM
CID:11082278
AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+HOO]-
PK$SPLASH: splash10-0536-3889783000-44501b8384028264cd1e
PK$NUM_PEAK: 3671
PK$PEAK: m/z int. rel.int.
50.8 6.74 6
50.9 9.1 9
51.0 11.91 11
51.1 12.68 12
51.2 11.49 11
51.3 10.5 10
51.4 11.13 11
51.5 12.72 12
51.6 13.88 13
51.7 13.95 13
51.8 13.52 13
51.9 13.64 13
52.0 14.48 14
52.1 15.14 15
52.2 14.39 14
52.3 12.12 12
52.6 9.21 9
52.7 11.19 11
52.8 12.75 12
52.9 12.63 12
53.0 10.86 10
53.2 8.47 8
53.3 10.18 10
53.4 12.53 12
53.5 13.65 13
53.6 13.14 13
53.7 11.69 11
53.8 9.94 9
54.1 8.98 8
54.2 11.58 11
54.3 14.37 14
54.4 15.88 15
54.5 15.7 15
54.6 14.57 14
54.7 13.25 13
54.8 12.35 12
54.9 12.02 12
55.0 11.75 11
55.1 10.62 10
56.1 6.8 6
56.2 8.05 8
56.3 10.66 10
56.4 13.64 13
56.5 15.03 15
56.6 13.91 13
56.7 11.54 11
57.6 7.03 7
57.7 8.83 8
57.8 10.6 10
57.9 10.68 10
58.0 8.79 8
58.3 7.71 7
58.4 9.42 9
58.5 10.36 10
58.6 10.29 10
58.7 9.19 9
58.8 7.55 7
59.1 6.41 6
59.2 7.69 7
59.3 9.3 9
59.4 10.68 10
59.5 10.96 10
59.6 10.26 10
59.7 10.05 10
59.8 11.4 11
59.9 13.07 13
60.0 12.78 12
60.1 10.45 10
60.2 7.89 7
60.3 6.29 6
60.6 5.11 5
60.7 7.07 7
60.8 9.94 9
60.9 12.24 12
61.0 12.72 12
61.1 11.44 11
61.9 8.05 8
62.0 10.41 10
62.1 13.19 13
62.2 14.46 14
62.3 13.13 13
62.4 10.68 10
63.2 7.13 7
63.3 8.56 8
63.4 10.33 10
63.5 11.46 11
63.6 11.28 11
64.3 9.78 9
64.4 11.04 11
64.5 12.26 12
64.6 12.5 12
64.7 11.46 11
65.0 9.84 9
65.1 11.04 11
65.2 11.85 11
65.3 11.7 11
65.4 10.69 10
65.7 9.63 9
65.8 11.02 11
65.9 12.06 12
66.0 11.49 11
66.3 8.94 8
66.4 10.78 10
66.5 12.09 12
66.6 12.0 11
66.7 10.96 10
66.8 10.32 10
66.9 11.22 11
67.0 13.53 13
67.1 15.67 15
67.2 15.98 15
67.3 14.46 14
68.3 10.65 10
68.4 11.37 11
68.5 11.61 11
68.6 11.97 11
68.7 12.75 12
68.8 13.16 13
68.9 12.32 12
69.0 10.6 10
69.2 9.06 9
69.3 10.74 10
69.4 13.67 13
69.5 16.22 16
69.6 16.9 16
69.7 15.3 15
69.8 12.65 12
69.9 10.53 10
70.2 10.38 10
70.3 10.9 10
70.4 11.7 11
70.5 12.54 12
70.6 12.9 12
70.7 12.74 12
70.8 12.48 12
70.9 12.54 12
71.0 12.72 12
71.1 12.48 12
71.2 11.54 11
71.6 11.22 11
71.7 11.78 11
71.8 12.62 12
71.9 13.49 13
72.0 14.01 13
72.1 14.01 13
72.2 13.53 13
72.3 12.68 12
72.4 11.67 11
72.8 11.05 11
72.9 12.11 12
73.0 13.14 13
73.1 13.47 13
73.2 12.65 12
73.5 10.14 10
73.6 11.7 11
73.7 12.95 12
73.8 12.62 12
74.7 10.27 10
74.8 12.35 12
74.9 14.75 14
75.0 15.08 15
75.1 12.86 12
75.2 9.88 9
75.4 8.95 8
75.5 10.93 10
75.6 12.6 12
75.7 12.83 12
75.8 11.73 11
75.9 10.59 10
76.0 10.02 10
76.5 9.78 9
76.6 10.14 10
76.7 11.08 11
76.8 12.57 12
76.9 13.5 13
77.0 13.14 13
77.1 12.27 12
77.2 12.23 12
77.3 13.31 13
77.4 14.55 14
77.5 14.6 14
77.6 12.92 12
77.9 9.48 9
78.0 11.82 11
78.1 13.98 13
78.2 14.49 14
78.3 13.32 13
78.4 11.19 11
78.5 8.86 8
78.8 7.92 7
78.9 9.6 9
79.0 11.1 11
79.1 12.38 12
79.2 13.52 13
79.3 13.95 13
79.4 13.05 13
79.7 11.13 11
79.8 14.57 14
79.9 18.43 18
80.0 20.47 20
80.1 20.23 20
80.2 18.71 18
80.3 16.99 16
81.1 13.19 13
81.2 15.03 15
81.3 15.85 15
81.4 15.73 15
81.5 15.62 15
81.6 15.53 15
81.7 15.15 15
81.8 14.76 14
81.9 14.57 14
82.2 13.1 13
82.3 14.97 14
82.4 17.6 17
82.5 18.43 18
82.6 16.42 16
82.9 13.5 13
83.0 16.09 16
83.1 17.39 17
83.2 16.66 16
84.6 13.59 13
84.7 14.91 14
84.8 16.39 16
84.9 16.46 16
85.0 15.17 15
85.6 12.68 12
85.7 14.84 14
85.8 16.45 16
85.9 15.36 15
87.3 11.78 11
87.4 13.17 13
87.5 14.12 14
87.6 14.63 14
87.7 15.3 15
87.8 15.91 15
87.9 15.52 15
88.0 14.0 13
89.3 9.85 9
89.4 11.73 11
89.5 12.93 12
89.6 12.98 12
89.7 12.96 12
89.8 13.47 13
89.9 13.5 13
90.2 11.64 11
90.3 14.58 14
90.4 16.67 16
90.5 15.62 15
90.6 12.45 12
90.8 9.84 9
90.9 11.94 11
91.0 14.63 14
91.1 16.03 16
91.2 15.49 15
91.3 13.65 13
92.3 11.07 11
92.4 13.02 13
92.5 14.97 14
92.6 14.91 14
92.7 12.63 12
92.9 10.26 10
93.0 12.96 12
93.1 15.83 15
93.2 16.07 16
93.3 13.53 13
95.1 7.95 7
95.2 10.77 10
95.3 15.79 15
95.4 19.83 19
95.5 20.52 20
95.6 18.17 18
95.7 15.24 15
97.4 9.87 9
97.5 12.81 12
97.6 15.2 15
97.7 15.7 15
97.8 14.88 14
99.3 8.25 8
99.4 10.12 10
99.5 12.0 11
99.6 12.77 12
99.7 12.95 12
99.8 13.43 13
99.9 13.97 13
100.0 13.53 13
100.1 11.67 11
100.9 7.58 7
101.0 10.56 10
101.1 14.37 14
101.2 15.83 15
101.3 13.53 13
101.5 9.13 9
101.6 12.23 12
101.7 16.16 16
101.8 17.59 17
101.9 16.15 16
102.0 13.74 13
102.1 11.85 11
102.2 10.35 10
102.5 8.46 8
102.6 10.51 10
102.7 12.62 12
102.8 13.64 13
102.9 13.43 13
103.7 10.3 10
103.8 11.87 11
103.9 12.77 12
104.0 12.39 12
104.1 11.75 11
104.2 11.88 11
104.3 12.63 12
104.4 13.22 13
104.5 13.16 13
104.6 12.47 12
105.7 7.0 6
105.8 9.09 9
105.9 12.18 12
106.0 14.54 14
106.1 15.03 15
106.2 13.77 13
106.3 11.32 11
106.4 8.46 8
106.6 6.43 6
106.7 8.64 8
106.8 10.9 10
106.9 11.37 11
107.0 10.63 10
107.1 10.62 10
107.2 11.93 11
107.3 13.35 13
107.4 13.86 13
107.5 13.44 13
107.6 12.3 12
107.7 10.66 10
109.7 6.56 6
109.8 8.26 8
109.9 10.09 10
110.0 11.08 11
110.1 10.98 10
110.2 10.21 10
110.3 9.24 9
110.4 7.92 7
110.6 6.01 6
110.7 7.95 7
110.8 11.31 11
110.9 13.8 13
111.0 14.57 14
111.1 14.36 14
112.1 7.45 7
112.2 9.55 9
112.3 10.45 10
112.4 10.02 10
112.5 9.82 9
112.6 10.75 10
112.7 12.18 12
112.8 13.4 13
112.9 14.03 14
113.0 13.61 13
113.1 12.21 12
113.8 10.68 10
113.9 13.19 13
114.0 15.23 15
114.1 14.81 14
114.2 12.29 12
114.3 9.94 9
114.9 7.31 7
115.0 9.39 9
115.1 12.29 12
115.2 14.0 13
115.3 13.31 13
115.4 10.53 10
115.5 7.22 7
115.7 6.01 6
115.8 8.41 8
115.9 10.8 10
116.0 11.88 11
116.1 11.73 11
116.2 11.14 11
116.3 10.84 10
116.4 11.22 11
116.5 11.88 11
116.6 11.7 11
116.7 10.09 10
116.8 7.81 7
117.1 6.8 6
117.2 8.46 8
117.3 10.24 10
117.4 11.34 11
117.5 11.32 11
117.6 10.74 10
117.7 10.12 10
117.8 9.22 9
118.1 7.22 7
118.2 9.37 9
118.3 11.32 11
118.4 11.82 11
118.5 10.95 10
118.6 9.61 9
118.7 8.73 8
119.2 7.99 7
119.3 9.04 9
119.4 10.24 10
119.5 11.35 11
119.6 12.05 12
119.7 11.57 11
119.8 9.81 9
119.9 7.8 7
120.8 7.25 7
120.9 8.37 8
121.0 10.3 10
121.1 11.29 11
121.2 10.78 10
121.3 9.99 9
121.4 9.88 9
121.5 10.32 10
121.6 10.69 10
121.7 10.6 10
121.8 9.66 9
122.1 7.8 7
122.2 8.92 8
122.3 9.84 9
122.4 9.88 9
122.5 8.76 8
122.8 6.19 6
122.9 9.66 9
123.0 12.83 12
123.1 13.08 13
123.2 10.59 10
123.9 11.25 11
124.0 12.23 12
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124.2 12.41 12
124.3 10.74 10
124.4 9.22 9
124.8 8.02 8
124.9 10.23 10
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125.1 14.94 14
125.2 13.61 13
125.5 10.2 10
125.6 13.08 13
125.7 15.35 15
125.8 14.88 14
125.9 11.76 11
126.2 8.86 8
126.3 11.81 11
126.4 13.82 13
126.5 14.03 14
126.6 13.94 13
126.7 15.15 15
126.8 16.87 16
126.9 16.72 16
127.0 14.21 14
127.1 11.31 11
127.4 10.24 10
127.5 11.61 11
127.6 12.84 12
127.7 13.38 13
127.8 13.4 13
127.9 13.25 13
128.0 12.86 12
128.1 11.7 11
128.4 9.66 9
128.5 12.54 12
128.6 15.68 15
128.7 16.73 16
128.8 14.84 14
128.9 11.43 11
129.1 9.79 9
129.2 11.97 11
129.3 13.4 13
129.4 13.11 13
129.5 12.48 12
129.6 12.72 12
129.7 13.11 13
129.8 12.45 12
131.9 10.95 10
132.0 12.89 12
132.1 14.34 14
132.2 13.8 13
132.3 11.73 11
133.9 9.55 9
134.0 10.66 10
134.1 12.74 12
134.2 14.16 14
134.3 12.83 12
134.4 8.82 8
134.6 5.72 5
134.7 9.96 9
134.8 14.33 14
134.9 15.41 15
135.0 13.01 12
135.1 10.02 10
135.4 9.84 9
135.5 10.11 10
135.6 11.11 11
135.7 13.35 13
135.8 15.71 15
135.9 16.4 16
136.0 14.82 14
136.1 12.0 11
136.4 9.22 9
136.5 10.36 10
136.6 11.05 11
136.7 11.38 11
136.8 12.14 12
136.9 13.46 13
137.0 14.72 14
137.1 15.49 15
137.2 15.52 15
137.3 14.49 14
137.4 12.6 12
137.5 10.83 10
137.6 9.96 9
137.9 8.58 8
138.0 9.45 9
138.1 12.11 12
138.2 15.21 15
138.3 16.55 16
138.4 15.26 15
138.5 12.69 12
139.2 11.94 11
139.3 12.77 12
139.4 13.95 13
139.5 14.73 14
139.6 13.98 13
139.7 11.82 11
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140.2 12.48 12
140.3 13.49 13
140.4 14.1 14
140.5 14.3 14
140.6 14.75 14
140.7 15.18 15
140.8 14.37 14
140.9 11.76 11
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141.3 11.26 11
141.4 13.35 13
141.5 14.36 14
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141.8 15.05 15
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142.2 13.62 13
142.3 14.36 14
142.4 15.43 15
142.5 16.27 16
142.6 16.54 16
142.7 15.71 15
143.0 12.54 12
143.1 14.93 14
143.2 17.39 17
143.3 18.14 18
143.4 16.84 16
143.5 14.52 14
143.7 12.56 12
143.8 14.36 14
143.9 16.69 16
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144.1 17.09 17
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145.1 12.38 12
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145.3 13.29 13
145.4 13.5 13
145.5 13.28 13
145.6 12.8 12
145.7 12.8 12
145.8 13.49 13
145.9 14.45 14
146.0 15.0 14
146.1 14.81 14
146.2 14.36 14
146.3 14.16 14
146.4 14.24 14
146.5 13.98 13
146.6 13.32 13
146.7 12.77 12
146.8 13.02 13
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147.3 11.75 11
147.4 14.51 14
147.5 16.19 16
147.6 15.15 15
148.3 13.1 13
148.4 14.31 14
148.5 15.4 15
148.6 15.59 15
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148.8 13.86 13
149.2 13.43 13
149.3 14.39 14
149.4 15.4 15
149.5 15.4 15
149.6 13.82 13
151.4 11.35 11
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152.2 10.09 10
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152.4 13.46 13
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152.8 10.98 10
152.9 13.38 13
153.0 14.88 14
153.1 15.71 15
153.2 16.67 16
153.3 17.23 17
153.4 16.07 16
153.5 13.25 13
153.8 10.45 10
153.9 13.04 13
154.0 16.22 16
154.1 18.16 18
154.2 17.51 17
154.3 14.93 14
154.4 12.24 12
154.7 10.56 10
154.8 12.87 12
154.9 15.52 15
155.0 17.11 17
155.1 17.26 17
155.2 16.39 16
155.3 14.72 14
155.4 12.33 12
155.7 10.15 10
155.8 12.96 12
155.9 15.24 15
156.0 15.32 15
157.4 13.44 13
157.5 14.45 14
157.6 15.24 15
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158.3 16.85 16
158.4 18.07 18
158.5 17.45 17
158.6 15.59 15
158.7 14.0 13
158.8 13.23 13
158.9 12.24 12
159.2 9.24 9
159.3 11.02 11
159.4 13.22 13
159.5 14.54 14
159.6 14.78 14
159.7 14.34 14
160.8 9.16 9
160.9 11.87 11
161.0 13.88 13
161.1 13.46 13
161.2 11.29 11
161.4 9.88 9
161.5 11.5 11
161.6 12.69 12
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161.8 11.58 11
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162.1 15.41 15
162.2 17.33 17
162.3 17.2 17
162.4 15.23 15
162.5 12.92 12
163.2 10.48 10
163.3 11.11 11
163.4 13.19 13
163.5 15.85 15
163.6 16.66 16
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164.1 12.26 12
164.2 13.41 13
164.5 11.01 10
164.6 12.48 12
164.7 14.12 14
164.8 14.36 14
164.9 13.11 13
165.0 11.2 11
165.1 9.49 9
165.4 8.76 8
165.5 9.42 9
165.6 9.93 9
165.7 10.69 10
165.8 11.57 11
165.9 12.0 11
166.0 12.03 12
166.1 12.38 12
166.2 13.2 13
166.3 13.7 13
166.4 13.32 13
166.5 12.26 12
168.1 9.49 9
168.2 10.74 10
168.3 13.07 13
168.4 14.3 14
168.5 12.66 12
168.6 9.04 9
168.8 6.79 6
168.9 9.06 9
169.0 10.98 10
169.1 11.5 11
169.2 11.29 11
169.3 10.93 10
169.4 10.39 10
169.5 9.24 9
169.8 7.8 7
169.9 9.79 9
170.0 11.01 10
170.1 10.54 10
170.2 9.52 9
170.3 9.36 9
170.4 9.91 9
170.5 9.99 9
170.6 9.13 9
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170.8 8.86 8
170.9 10.77 10
171.0 12.69 12
171.1 13.37 13
171.2 12.56 12
171.3 10.96 10
171.6 8.52 8
171.7 9.69 9
171.8 11.2 11
171.9 12.0 11
172.0 11.88 11
172.1 11.58 11
172.2 11.58 11
172.3 11.34 11
172.4 10.57 10
172.5 9.69 9
172.6 9.06 9
173.0 7.84 7
173.1 8.89 8
173.2 9.88 9
173.3 11.01 10
173.4 12.21 12
173.5 12.84 12
173.6 12.59 12
173.7 12.12 12
173.8 11.82 11
173.9 11.2 11
175.2 9.84 9
175.3 10.92 10
175.4 12.12 12
175.5 12.45 12
175.6 11.53 11
175.7 9.73 9
176.0 8.79 8
176.1 10.92 10
176.2 12.26 12
176.3 11.96 11
177.5 9.21 9
177.6 10.84 10
177.7 13.5 13
177.8 14.79 14
177.9 13.62 13
178.0 11.32 11
178.6 8.98 8
178.7 10.47 10
178.8 11.79 11
178.9 11.6 11
180.5 9.21 9
180.6 10.68 10
180.7 12.08 12
180.8 12.71 12
180.9 12.08 12
181.0 9.69 9
181.3 7.33 7
181.4 10.2 10
181.5 12.33 12
181.6 13.02 13
181.7 12.59 12
181.8 11.55 11
181.9 10.32 10
182.0 9.25 9
182.1 8.68 8
182.2 8.32 8
183.0 6.25 6
183.1 8.4 8
183.2 11.47 11
183.3 12.92 12
183.4 11.91 11
183.5 9.54 9
183.8 7.57 7
183.9 9.28 9
184.0 10.78 10
184.1 10.83 10
184.2 9.12 9
184.3 6.56 6
184.5 5.35 5
184.6 6.94 6
184.7 8.26 8
184.8 8.98 8
184.9 10.23 10
185.0 12.24 12
185.1 13.31 13
185.2 12.17 12
185.5 9.04 9
185.6 10.66 10
185.7 11.91 11
185.8 11.63 11
185.9 9.72 9
186.0 7.37 7
186.2 6.04 6
186.3 7.43 7
186.4 9.36 9
186.5 10.93 10
186.6 12.0 11
186.7 13.13 13
186.8 14.15 14
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629.1 13.67 13
629.2 13.64 13
629.3 12.08 12
629.4 9.52 9
629.6 7.49 7
629.7 9.01 9
629.8 11.14 11
629.9 13.37 13
630.0 14.91 14
630.1 14.66 14
630.2 12.96 12
632.8 9.88 9
632.9 10.29 10
633.0 11.57 11
633.1 13.34 13
633.2 14.51 14
633.3 14.51 14
633.4 13.43 13
633.5 11.79 11
633.8 10.62 10
633.9 11.46 11
634.0 11.99 11
634.1 11.66 11
634.9 8.76 8
635.0 11.14 11
635.1 13.85 13
635.2 14.82 14
635.3 13.23 13
635.4 10.47 10
635.6 9.31 9
635.7 11.01 10
635.8 12.09 12
635.9 12.23 12
636.0 11.93 11
636.1 11.47 11
636.2 11.11 11
636.3 11.79 11
636.4 14.07 14
636.5 16.24 16
636.6 15.43 15
636.7 11.28 11
636.9 7.57 7
637.0 11.11 11
637.1 14.4 14
637.2 15.23 15
637.3 14.78 14
637.4 14.73 14
637.5 15.05 15
637.6 14.58 14
637.7 13.04 13
638.5 11.17 11
638.6 13.68 13
638.7 16.6 16
638.8 17.6 17
638.9 16.42 16
639.0 14.42 14
639.1 12.71 12
639.2 11.29 11
639.5 10.2 10
639.6 12.2 12
639.7 14.48 14
639.8 16.06 16
639.9 16.4 16
640.0 15.5 15
640.1 13.79 13
640.2 11.79 11
640.5 9.91 9
640.6 11.54 11
640.7 12.72 12
640.8 12.86 12
640.9 12.89 12
641.0 14.07 14
641.1 15.94 15
641.2 16.33 16
641.3 14.12 14
641.4 10.77 10
641.7 10.23 10
641.8 11.81 11
641.9 12.81 12
642.0 13.28 13
642.1 13.5 13
642.2 13.94 13
642.3 15.05 15
642.4 16.72 16
642.5 17.54 17
642.6 16.34 16
642.7 13.55 13
643.0 10.57 10
643.1 13.26 13
643.2 15.91 15
643.3 16.57 16
643.4 15.14 15
643.7 13.64 13
643.8 14.75 14
643.9 15.44 15
644.0 15.24 15
644.8 12.12 12
644.9 14.09 14
645.0 15.95 15
645.1 15.92 15
645.2 14.45 14
645.7 12.74 12
645.8 13.47 13
645.9 15.59 15
646.0 17.9 17
646.1 18.95 18
646.2 17.95 17
646.3 15.29 15
646.6 11.69 11
646.7 13.97 13
646.8 16.39 16
646.9 17.68 17
647.0 17.35 17
647.1 15.7 15
647.2 13.91 13
647.6 13.64 13
647.7 14.13 14
647.8 14.64 14
647.9 14.99 14
648.0 15.32 15
648.1 15.95 15
648.2 16.85 16
648.3 17.39 17
648.4 16.82 16
648.5 15.17 15
649.3 13.71 13
649.4 14.96 14
649.5 16.46 16
649.6 17.2 17
//
