MassBank Record: MSBNK-RIKEN_NPDepo-NGA05233
ACCESSION: MSBNK-RIKEN_NPDepo-NGA05233
RECORD_TITLE: Cyclogaleginoside A.; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+HOO]-
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Triterpenoids
CH$NAME: Cyclogaleginoside A.
CH$COMPOUND_CLASS: Terpenoids
CH$FORMULA: C37H60O10
CH$EXACT_MASS: 664.8848
CH$SMILES: CC(=O)O[C@H]1[C@H](OC2CC[C@]34C[C@]35CC[C@]3(C)C([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)C5C[C@H](O)C4C2(C)C)OC[C@@H](O)[C@@H]1O
CH$IUPAC: InChI=1S/C37H60O10/c1-19(38)45-27-26(42)22(41)17-44-30(27)46-24-10-12-37-18-36(37)14-13-33(6)29(35(8)11-9-25(47-35)32(4,5)43)21(40)16-34(33,7)23(36)15-20(39)28(37)31(24,2)3/h20-30,39-43H,9-18H2,1-8H3/t20-,21-,22+,23?,24?,25-,26-,27+,28?,29?,30-,33+,34-,35+,36-,37+/m0/s1
CH$LINK: CAS
94443-44-4
CH$LINK: INCHIKEY
KILZIJKCZIGLFJ-KFRJDVSMSA-N
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: splash10-0a4i-3988888400-539cdb70d0a436891f61
PK$NUM_PEAK: 4941
PK$PEAK: m/z int. rel.int.
50.4 12.26 12
50.5 14.3 14
50.6 15.26 15
50.7 14.33 14
50.8 13.01 12
51.1 12.71 12
51.2 12.97 12
51.3 13.57 13
51.4 14.1 14
51.5 13.67 13
52.2 11.17 11
52.3 12.47 12
52.4 13.09 13
52.5 12.54 12
52.6 12.04 12
52.7 12.2 12
52.8 12.06 12
53.0 10.47 10
53.1 11.51 11
53.2 13.4 13
53.3 14.6 14
53.4 15.09 15
53.5 15.68 15
53.6 15.93 15
53.7 14.6 14
53.8 11.54 11
54.1 8.01 8
54.2 11.15 11
54.3 14.08 14
54.4 14.74 14
54.5 13.02 13
54.8 10.94 10
54.9 13.05 13
55.0 14.42 14
55.1 13.84 13
55.2 11.79 11
55.3 10.04 10
55.5 9.72 9
55.6 10.16 10
55.7 10.94 10
55.8 11.92 11
55.9 12.43 12
56.0 12.21 12
56.1 11.23 11
56.4 9.31 9
56.5 10.88 10
56.6 11.97 11
56.7 11.89 11
56.8 11.88 11
56.9 13.44 13
57.0 16.1 16
57.1 17.7 17
57.2 16.64 16
57.3 13.73 13
57.4 11.13 11
57.7 9.76 9
57.8 10.21 10
57.9 11.05 11
58.0 10.96 10
58.1 9.01 9
58.3 5.33 5
58.4 7.65 7
58.5 12.03 12
58.6 14.95 14
58.7 13.99 13
58.8 10.13 10
59.0 6.79 6
59.1 10.19 10
59.2 14.7 14
59.3 17.39 17
59.4 16.81 16
59.5 13.67 13
59.6 9.97 9
59.8 7.76 7
59.9 9.07 9
60.0 10.47 10
60.1 11.39 11
60.2 11.62 11
60.5 9.78 9
60.6 11.76 11
60.7 14.79 14
60.8 16.82 16
60.9 16.55 16
61.0 14.77 14
61.9 9.43 9
62.0 11.66 11
62.1 14.0 13
62.2 14.7 14
62.3 14.39 14
62.4 14.91 14
62.5 16.99 16
62.6 19.56 19
62.7 20.7 20
62.8 19.53 19
62.9 17.14 17
63.8 12.09 12
63.9 13.49 13
64.0 13.83 13
64.1 13.46 13
64.2 13.16 13
64.5 12.15 12
64.6 12.74 12
64.7 13.9 13
64.8 14.28 14
64.9 12.76 12
65.2 10.34 10
65.3 12.04 12
65.4 12.9 12
65.5 12.98 12
65.6 12.75 12
65.7 12.54 12
65.8 12.91 12
65.9 14.28 14
66.0 15.41 15
66.1 14.65 14
66.2 11.89 11
66.3 9.09 9
66.9 9.34 9
67.0 11.19 11
67.1 14.54 14
67.2 17.37 17
67.3 17.34 17
67.4 14.15 14
67.5 9.98 9
67.7 7.06 7
67.8 8.5 8
67.9 10.84 10
68.0 13.08 13
68.1 14.23 14
68.2 13.73 13
69.0 11.51 11
69.1 13.5 13
69.2 14.88 14
69.3 13.46 13
69.4 9.77 9
69.5 6.28 6
69.7 6.15 6
69.8 8.4 8
69.9 10.34 10
70.0 11.05 11
70.1 10.26 10
70.2 8.53 8
70.4 6.28 6
70.5 7.77 7
70.6 10.86 10
70.7 13.67 13
70.8 14.59 14
70.9 13.61 13
71.0 11.41 11
71.1 8.66 8
71.2 6.03 6
71.4 4.9 4
71.5 6.63 6
71.6 9.04 9
71.7 11.17 11
71.8 12.27 12
71.9 11.86 11
72.0 10.15 10
72.2 8.78 8
72.3 10.85 10
72.4 12.84 12
72.5 12.78 12
72.6 11.06 11
73.3 7.06 7
73.4 8.5 8
73.5 11.3 11
73.6 13.56 13
73.7 13.99 13
73.8 12.85 12
73.9 11.34 11
74.7 7.48 7
74.8 9.26 9
74.9 11.35 11
75.0 11.99 11
75.1 10.97 10
75.5 10.1 10
75.6 10.07 10
75.7 10.32 10
75.8 11.34 11
75.9 12.54 12
76.0 12.85 12
76.1 11.68 11
76.4 10.05 10
76.5 11.65 11
76.6 12.08 12
76.7 11.78 11
76.8 12.41 12
76.9 14.11 14
77.0 15.49 15
77.1 15.31 15
77.4 13.13 13
77.5 14.6 14
77.6 15.76 15
77.7 15.78 15
77.8 15.0 14
77.9 13.92 13
78.0 12.57 12
78.3 11.12 11
78.4 12.7 12
78.5 15.13 15
78.6 17.52 17
78.7 18.27 18
78.8 16.56 16
78.9 13.65 13
80.1 9.99 9
80.2 11.53 11
80.3 12.8 12
80.4 12.86 12
80.5 12.11 12
80.8 11.5 11
80.9 12.13 12
81.0 12.96 12
81.1 13.16 13
81.2 11.92 11
81.4 9.53 9
81.5 11.12 11
81.6 13.19 13
81.7 13.13 13
81.8 10.68 10
82.0 9.32 9
82.1 11.81 11
82.2 12.96 12
82.3 11.57 11
82.5 8.66 8
82.6 10.26 10
82.7 12.86 12
82.8 14.21 14
82.9 13.5 13
83.0 11.82 11
83.1 10.42 10
83.2 9.24 9
83.3 8.1 8
84.0 8.23 8
84.1 8.56 8
84.2 9.77 9
84.3 12.1 12
84.4 14.43 14
84.5 15.28 15
84.6 14.28 14
84.7 12.65 12
84.8 11.71 11
84.9 11.12 11
85.0 9.62 9
85.1 7.5 7
85.6 7.36 7
85.7 8.15 8
85.8 9.13 9
85.9 9.55 9
86.0 9.67 9
86.1 9.43 9
86.2 7.93 7
86.4 5.59 5
86.5 9.1 9
86.6 14.32 14
86.7 17.45 17
86.8 16.49 16
86.9 12.47 12
87.0 8.07 8
87.3 6.23 6
87.4 8.73 8
87.5 11.56 11
87.6 13.13 13
87.7 12.6 12
88.0 11.61 11
88.1 12.44 12
88.2 13.18 13
88.3 13.36 13
88.4 12.02 12
88.5 8.86 8
89.3 8.56 8
89.4 10.24 10
89.5 11.66 11
89.6 11.35 11
91.0 9.07 9
91.1 11.88 11
91.2 14.66 14
91.3 15.14 15
91.4 13.38 13
91.5 11.39 11
91.6 10.7 10
91.7 10.67 10
92.4 6.63 6
92.5 8.57 8
92.6 12.63 12
92.7 15.66 15
92.8 15.6 15
92.9 13.24 13
93.0 10.8 10
93.2 10.38 10
93.3 11.3 11
93.4 11.57 11
93.5 11.28 11
93.6 11.34 11
93.7 12.63 12
93.8 15.17 15
93.9 18.07 18
94.0 19.63 19
94.1 18.55 18
94.2 15.45 15
94.3 12.32 12
94.5 11.05 11
94.6 12.3 12
94.7 13.47 13
94.8 13.49 13
94.9 12.08 12
95.1 10.59 10
95.2 12.19 12
95.3 13.35 13
95.4 12.69 12
95.5 11.17 11
96.0 9.92 9
96.1 11.24 11
96.2 13.7 13
96.3 15.94 15
96.4 16.33 16
96.5 14.21 14
96.7 10.14 10
96.8 12.41 12
96.9 15.89 15
97.0 17.4 17
97.1 15.88 15
97.2 12.89 12
97.5 11.27 11
97.6 13.4 13
97.7 15.49 15
97.8 16.81 16
97.9 17.03 17
98.0 16.27 16
98.1 14.86 14
98.2 13.49 13
98.3 12.69 12
100.2 6.27 6
100.3 7.6 7
100.4 10.46 10
100.5 13.24 13
100.6 15.01 14
100.7 16.16 16
100.8 16.85 16
100.9 15.93 15
101.0 13.09 13
101.1 10.1 10
101.3 9.48 9
101.4 10.57 10
101.5 11.89 11
101.6 13.72 13
101.7 15.38 15
101.8 15.15 15
101.9 12.44 12
102.0 9.01 9
102.3 8.41 8
102.4 9.29 9
102.5 11.13 11
102.6 13.67 13
102.7 14.63 14
102.8 12.89 12
102.9 10.54 10
103.5 8.19 8
103.6 9.99 9
103.7 12.02 12
103.8 12.54 12
103.9 11.54 11
104.0 10.32 10
104.3 10.31 10
104.4 10.5 10
104.5 12.29 12
104.6 15.87 15
104.7 19.47 19
104.8 21.3 21
104.9 20.73 20
105.0 18.16 18
105.1 14.16 14
105.2 9.58 9
105.4 6.02 6
105.5 9.6 9
105.6 13.95 13
105.7 15.3 15
105.8 13.39 13
106.0 11.95 11
106.1 14.03 14
106.2 14.75 14
106.3 13.27 13
106.4 11.23 11
106.7 11.03 11
106.8 11.17 11
106.9 11.38 11
107.0 11.94 11
107.1 12.42 12
107.4 10.83 10
107.5 12.05 12
107.6 14.11 14
107.7 15.66 15
107.8 16.05 16
107.9 15.12 15
108.0 12.97 12
108.2 9.7 9
108.3 12.15 12
108.4 16.77 16
108.5 20.64 20
108.6 21.75 21
108.7 20.48 20
108.8 18.24 18
108.9 15.95 15
109.0 13.57 13
109.2 11.75 11
109.3 14.62 14
109.4 18.38 18
109.5 19.75 19
109.6 17.72 17
109.7 14.27 14
109.9 12.69 12
110.0 15.03 15
110.1 17.4 17
110.2 18.12 18
110.3 16.82 16
110.4 14.37 14
110.5 11.93 11
110.7 10.4 10
110.8 11.86 11
110.9 13.55 13
111.0 13.72 13
111.1 12.18 12
111.2 10.42 10
111.4 10.18 10
111.5 10.86 10
111.6 12.09 12
111.7 14.05 14
111.8 15.62 15
111.9 15.18 15
112.2 11.54 11
112.3 14.76 14
112.4 17.5 17
112.5 17.24 17
112.6 14.32 14
112.7 11.02 11
113.3 10.42 10
113.4 11.39 11
113.5 12.9 12
113.6 13.78 13
113.7 13.51 13
114.0 12.4 12
114.1 13.77 13
114.2 15.06 15
114.3 14.93 14
114.4 13.11 13
114.5 10.89 10
114.8 10.16 10
114.9 10.09 10
115.0 10.96 10
115.1 13.29 13
115.2 15.56 15
115.3 15.88 15
116.7 8.41 8
116.8 9.78 9
116.9 12.86 12
117.0 14.81 14
117.1 13.74 13
117.2 10.52 10
117.3 7.43 7
117.5 5.76 5
117.6 6.96 6
117.7 9.44 9
117.8 12.59 12
117.9 14.8 14
118.0 14.6 14
118.1 12.32 12
118.2 9.92 9
118.3 8.93 8
118.4 8.93 8
118.7 7.93 7
118.8 9.37 9
118.9 11.72 11
119.0 13.63 13
119.1 14.48 14
119.2 14.31 14
119.3 13.16 13
119.4 11.44 11
119.5 10.1 10
120.0 9.61 9
120.1 10.2 10
120.2 10.96 10
120.3 12.14 12
120.4 13.5 13
120.5 14.09 14
120.6 13.3 13
120.9 12.2 12
121.0 12.95 12
121.1 13.08 13
121.2 13.17 13
121.3 13.44 13
121.4 12.96 12
121.5 11.07 11
121.6 8.62 8
121.7 6.71 6
121.9 5.54 5
122.0 6.78 6
122.1 9.12 9
122.2 11.01 10
122.3 11.64 11
122.4 11.92 11
122.5 12.67 12
122.6 13.07 13
122.7 12.67 12
122.8 12.78 12
122.9 14.55 14
123.0 16.77 16
123.1 16.91 16
123.2 14.26 14
123.3 10.85 10
124.0 9.91 9
124.1 10.63 10
124.2 12.14 12
124.3 13.72 13
124.4 14.27 14
124.5 13.24 13
124.8 11.61 11
124.9 14.2 14
125.0 16.28 16
125.1 16.31 16
125.2 14.77 14
125.4 13.79 13
125.5 15.23 15
125.6 16.49 16
125.7 16.31 16
125.8 14.69 14
125.9 12.84 12
126.1 12.65 12
126.2 13.47 13
126.3 13.74 13
126.4 13.18 13
126.5 12.1 12
126.6 11.07 11
126.7 10.67 10
126.8 10.57 10
127.6 9.74 9
127.7 10.78 10
127.8 11.97 11
127.9 13.22 13
128.0 14.88 14
128.1 16.28 16
128.2 15.74 15
128.3 12.8 12
128.5 8.02 8
128.6 10.15 10
128.7 13.87 13
128.8 15.9 15
128.9 14.76 14
129.2 12.33 12
129.3 14.57 14
129.4 15.68 15
129.5 15.26 15
129.6 14.05 14
129.7 12.1 12
129.8 9.1 9
130.0 5.15 5
130.1 7.5 7
130.2 11.39 11
130.3 14.59 14
130.4 16.45 16
130.5 17.41 17
130.6 17.4 17
130.7 16.1 16
130.8 13.54 13
130.9 10.59 10
131.1 8.85 8
131.2 10.27 10
131.3 11.54 11
131.4 11.51 11
131.5 10.34 10
131.6 8.8 8
131.8 7.83 7
131.9 8.69 8
132.0 9.61 9
132.1 9.93 9
132.2 9.85 9
132.3 10.23 10
132.4 11.64 11
132.5 13.49 13
132.6 14.05 14
132.7 12.6 12
132.8 10.45 10
132.9 9.34 9
133.0 9.43 9
133.1 9.54 9
133.2 8.85 8
133.5 7.14 7
133.6 9.24 9
133.7 12.05 12
133.8 13.67 13
133.9 13.49 13
134.0 12.75 12
134.1 12.4 12
134.2 11.82 11
134.5 9.36 9
134.6 11.3 11
134.7 12.75 12
134.8 12.47 12
134.9 11.11 11
135.0 9.96 9
135.1 9.26 9
135.3 7.82 7
135.4 8.29 8
135.5 10.79 10
135.6 14.42 14
135.7 17.23 17
135.8 18.07 18
135.9 17.23 17
136.0 15.18 15
136.1 12.53 12
136.2 10.36 10
136.8 9.38 9
136.9 12.06 12
137.0 14.36 14
137.1 14.44 14
137.2 12.59 12
137.3 10.19 10
137.4 8.33 8
137.6 7.74 7
137.7 8.83 8
137.8 10.38 10
137.9 11.95 11
138.0 13.14 13
138.1 13.74 13
138.2 13.71 13
138.3 13.03 13
138.4 11.97 11
138.5 11.02 11
138.6 10.58 10
138.9 9.87 9
139.0 10.5 10
139.1 12.19 12
139.2 13.43 13
139.3 12.68 12
139.5 10.77 10
139.6 13.19 13
139.7 16.43 16
139.8 17.85 17
139.9 16.67 16
140.2 14.36 14
140.3 16.77 16
140.4 18.13 18
140.5 16.88 16
140.6 13.9 13
140.7 11.12 11
140.9 8.94 8
141.0 9.93 9
141.1 12.58 12
141.2 15.85 15
141.3 17.89 17
141.4 17.97 17
141.5 17.09 17
141.6 16.21 16
141.7 15.12 15
141.8 13.59 13
142.6 10.07 10
142.7 11.89 11
142.8 13.83 13
142.9 14.49 14
143.0 14.32 14
143.1 14.71 14
143.2 16.39 16
143.3 18.97 18
143.4 20.7 20
143.5 19.62 19
143.6 15.62 15
143.7 11.03 11
144.4 10.42 10
144.5 12.11 12
144.6 14.33 14
144.7 15.08 15
144.8 13.54 13
145.6 11.77 11
145.7 12.42 12
145.8 12.51 12
145.9 12.26 12
146.0 12.25 12
146.1 12.59 12
146.2 12.59 12
147.0 9.23 9
147.1 10.03 10
147.2 11.76 11
147.3 14.08 14
147.4 16.04 16
147.5 16.12 16
147.6 14.01 13
147.7 10.89 10
147.8 8.2 8
148.0 6.87 6
148.1 8.33 8
148.2 10.42 10
148.3 12.35 12
148.4 13.44 13
148.5 12.75 12
148.6 10.03 10
148.8 6.35 6
148.9 8.29 8
149.0 11.43 11
149.1 14.27 14
149.2 15.72 15
149.3 15.33 15
149.4 13.87 13
149.5 13.03 13
149.6 13.29 13
149.7 13.25 13
149.8 11.83 11
150.1 11.05 11
150.2 12.46 12
150.3 13.02 13
150.4 13.09 13
150.5 13.13 13
150.6 13.0 12
150.7 12.63 12
150.8 12.06 12
150.9 10.79 10
151.1 8.75 8
151.2 10.8 10
151.3 12.67 12
151.4 11.64 11
151.6 8.26 8
151.7 10.3 10
151.8 12.54 12
151.9 12.43 12
152.0 9.78 9
152.1 6.13 6
152.3 4.29 4
152.4 7.65 7
152.5 11.33 11
152.6 12.62 12
152.7 11.38 11
152.8 9.61 9
153.0 9.28 9
153.1 10.04 10
153.2 10.95 10
153.3 11.91 11
153.4 12.59 12
153.5 12.76 12
153.6 12.29 12
154.8 6.44 6
154.9 7.6 7
155.0 9.33 9
155.1 10.21 10
155.2 10.04 10
155.3 9.92 9
155.4 10.58 10
155.5 12.16 12
155.6 14.63 14
155.7 17.53 17
155.8 19.72 19
155.9 20.03 20
156.0 18.66 18
156.1 16.54 16
156.2 14.8 14
156.7 14.14 14
156.8 15.17 15
156.9 16.97 16
157.0 18.07 18
157.1 17.51 17
157.2 15.66 15
157.3 13.79 13
157.4 13.01 12
157.5 13.19 13
157.6 13.14 13
157.7 12.21 12
157.8 10.73 10
157.9 9.07 9
158.1 6.73 6
158.2 8.84 8
158.3 13.73 13
158.4 18.16 18
158.5 18.56 18
158.6 15.14 15
158.7 11.67 11
159.1 10.99 10
159.2 11.65 11
159.3 12.95 12
159.4 13.51 13
159.5 12.82 12
159.6 11.48 11
159.9 10.75 10
160.0 11.53 11
160.1 11.94 11
160.2 12.26 12
160.3 12.82 12
160.4 13.01 12
160.5 12.15 12
160.6 10.62 10
160.9 9.6 9
161.0 11.26 11
161.1 14.03 14
161.2 16.39 16
161.3 16.06 16
161.4 12.82 12
161.6 9.23 9
161.7 11.83 11
161.8 13.79 13
161.9 12.64 12
162.7 7.17 7
162.8 9.05 9
162.9 11.46 11
163.0 13.06 13
163.1 13.7 13
163.2 14.44 14
163.3 15.8 15
163.4 16.79 16
163.5 16.2 16
163.6 14.2 14
163.7 11.88 11
163.8 9.96 9
164.0 8.86 8
164.1 9.85 9
164.2 11.57 11
164.3 13.47 13
164.4 14.35 14
164.5 13.36 13
165.4 10.45 10
165.5 11.24 11
165.6 12.21 12
165.7 12.36 12
166.0 10.58 10
166.1 12.14 12
166.2 13.29 13
166.3 13.01 12
166.4 11.71 11
166.5 10.18 10
166.8 8.94 8
166.9 10.43 10
167.0 12.89 12
167.1 15.28 15
167.2 15.87 15
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//
