MassBank Record: MSBNK-RIKEN_NPDepo-NGA05234
ACCESSION: MSBNK-RIKEN_NPDepo-NGA05234
RECORD_TITLE: Cyclogaleginoside A.; 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: 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: splash10-074j-4888789400-cc1f4c6a8dc271fddb1a
PK$NUM_PEAK: 4897
PK$PEAK: m/z int. rel.int.
51.0 5.86 5
51.1 7.8 7
51.2 9.87 9
51.3 11.44 11
51.4 11.81 11
51.5 10.34 10
51.6 7.13 7
51.7 3.44 3
51.9 1.84 1
52.0 4.4 4
52.1 7.74 7
52.2 10.76 10
52.3 12.63 12
52.4 12.92 12
52.5 12.28 12
52.6 11.51 11
52.7 10.35 10
52.8 8.15 8
52.9 5.38 5
53.1 3.55 3
53.2 4.95 4
53.3 7.16 7
53.4 9.26 9
53.5 10.17 10
53.6 9.67 9
53.9 9.15 9
54.0 9.77 9
54.1 10.9 10
54.2 11.78 11
54.3 10.8 10
54.4 7.79 7
54.7 4.76 4
54.8 7.22 7
54.9 9.59 9
55.0 10.62 10
55.1 9.98 9
56.0 5.21 5
56.1 7.37 7
56.2 9.93 9
56.3 11.24 11
56.4 11.26 11
56.5 10.73 10
56.6 9.69 9
56.7 8.1 8
56.9 6.93 6
57.0 8.39 8
57.1 9.76 9
57.2 10.09 10
57.3 9.47 9
58.0 8.78 8
58.1 9.88 9
58.2 11.65 11
58.3 13.39 13
58.4 13.8 13
58.5 12.0 11
58.6 9.02 9
58.8 7.33 7
58.9 9.14 9
59.0 11.94 11
59.1 15.34 15
59.2 18.32 18
59.3 19.23 19
59.4 17.39 17
59.5 13.84 13
59.6 10.32 10
59.7 7.98 7
59.9 7.42 7
60.0 9.01 9
60.1 11.36 11
60.2 13.15 13
60.3 13.6 13
60.4 12.7 12
60.5 10.89 10
60.6 8.35 8
60.8 5.46 5
60.9 7.93 7
61.0 11.87 11
61.1 13.97 13
61.2 12.41 12
61.3 8.95 8
62.4 8.88 8
62.5 9.48 9
62.6 10.67 10
62.7 11.85 11
62.8 12.52 12
62.9 12.54 12
63.0 12.1 12
63.1 11.05 11
63.2 9.2 9
63.5 6.49 6
63.6 9.02 9
63.7 11.5 11
63.8 12.51 12
63.9 12.01 11
64.0 10.8 10
64.1 9.2 9
64.2 7.16 7
64.4 5.7 5
64.5 7.31 7
64.6 8.98 8
64.7 10.21 10
64.8 11.37 11
64.9 12.08 12
65.0 11.14 11
65.1 8.63 8
65.3 6.88 6
65.4 8.66 8
65.5 9.77 9
65.6 9.11 9
66.4 8.67 8
66.5 10.86 10
66.6 12.43 12
66.7 11.7 11
66.8 9.38 9
66.9 7.3 7
67.4 5.58 5
67.5 6.54 6
67.6 8.51 8
67.7 9.8 9
67.8 9.07 9
68.1 7.13 7
68.2 8.6 8
68.3 9.04 9
68.4 8.37 8
68.5 7.63 7
68.6 7.14 7
68.7 5.97 5
68.8 3.86 3
69.0 2.45 2
69.1 4.25 4
69.2 6.37 6
69.3 8.29 8
69.4 10.26 10
69.5 11.78 11
69.6 11.59 11
69.7 9.61 9
69.8 7.3 7
70.2 6.09 6
70.3 6.49 6
70.4 7.56 7
70.5 8.62 8
70.6 8.96 8
70.7 8.57 8
70.8 7.74 7
71.0 6.57 6
71.1 7.51 7
71.2 9.15 9
71.3 10.23 10
71.4 10.29 10
71.5 9.76 9
71.6 8.62 8
71.7 6.79 6
71.8 4.77 4
72.3 6.03 6
72.4 5.88 5
72.5 6.42 6
72.6 7.89 7
72.7 8.57 8
72.8 7.34 7
73.1 6.61 6
73.2 7.89 7
73.3 8.55 8
73.4 8.67 8
73.5 8.5 8
73.6 8.42 8
73.7 9.2 9
73.8 10.99 10
73.9 12.9 12
74.0 13.48 13
74.3 12.19 12
74.4 14.55 14
74.5 16.43 16
74.6 15.47 15
74.7 11.53 11
74.8 6.9 6
75.0 6.13 6
75.1 8.94 8
75.2 10.49 10
75.3 10.12 10
76.1 5.86 5
76.2 7.49 7
76.3 10.76 10
76.4 13.2 13
76.5 12.86 12
76.6 10.11 10
76.7 6.99 6
76.9 6.16 6
77.0 8.67 8
77.1 11.25 11
77.2 11.77 11
77.3 9.65 9
77.5 6.68 6
77.6 9.18 9
77.7 11.7 11
77.8 11.51 11
77.9 8.96 8
78.1 7.97 7
78.2 10.53 10
78.3 11.97 11
78.4 11.02 11
78.5 9.04 9
78.6 7.63 7
78.7 7.03 7
79.0 6.18 6
79.1 6.9 6
79.2 8.95 8
79.3 11.43 11
79.4 12.2 12
79.5 9.87 9
79.6 5.74 5
79.8 2.92 2
79.9 5.07 5
80.0 7.11 7
80.1 7.63 7
80.4 6.44 6
80.5 7.63 7
80.6 8.75 8
80.7 9.08 9
80.8 8.57 8
81.1 6.45 6
81.2 8.06 8
81.3 10.5 10
81.4 11.51 11
81.5 9.65 9
81.6 5.93 5
81.9 3.87 3
82.0 6.64 6
82.1 9.29 9
82.2 10.98 10
82.3 11.59 11
82.4 11.42 11
82.5 10.45 10
82.6 8.54 8
82.7 6.24 6
83.0 5.42 5
83.1 6.64 6
83.2 7.58 7
83.3 7.79 7
83.4 6.83 6
83.5 4.88 4
83.7 3.16 3
83.8 5.38 5
83.9 8.33 8
84.0 10.05 10
84.1 9.87 9
84.2 8.92 8
85.8 4.07 4
85.9 6.57 6
86.0 10.27 10
86.1 11.1 11
86.2 8.38 8
86.3 5.55 5
86.4 5.15 5
86.5 5.62 5
86.6 4.42 4
86.8 2.01 2
86.9 3.94 3
87.0 6.33 6
87.1 7.71 7
87.2 7.72 7
87.3 6.45 6
87.4 4.44 4
87.6 3.05 3
87.7 4.73 4
87.8 6.71 6
87.9 7.41 7
88.0 6.65 6
88.1 5.91 5
88.2 6.65 6
88.3 8.48 8
88.4 10.01 9
88.5 10.57 10
88.6 10.7 10
88.7 10.58 10
88.8 9.76 9
88.9 8.42 8
89.0 7.75 7
89.3 6.77 6
89.4 7.36 7
89.5 10.45 10
89.6 14.24 14
89.7 16.2 16
89.8 16.03 16
89.9 15.2 15
90.0 14.81 14
90.1 14.26 14
90.2 12.5 12
90.4 9.17 9
90.5 10.92 10
90.6 13.74 13
90.7 14.67 14
90.8 12.82 12
90.9 10.21 10
91.0 8.75 8
91.1 8.22 8
91.2 7.51 7
91.3 6.47 6
92.0 6.11 6
92.1 7.1 7
92.2 9.24 9
92.3 10.59 10
92.4 10.1 10
92.5 8.75 8
92.6 8.14 8
92.7 8.29 8
93.0 6.36 6
93.1 8.34 8
93.2 10.76 10
93.3 10.66 10
93.4 7.64 7
94.2 4.64 4
94.3 7.69 7
94.4 10.73 10
94.5 11.68 11
94.6 10.26 10
94.7 8.4 8
94.9 7.76 7
95.0 8.4 8
95.1 9.64 9
95.2 10.58 10
95.3 9.52 9
95.6 6.03 6
95.7 8.98 8
95.8 10.56 10
95.9 9.47 9
96.2 6.72 6
96.3 8.54 8
96.4 10.29 10
96.5 11.14 11
96.6 10.95 10
96.7 10.49 10
96.8 10.61 10
96.9 10.9 10
97.0 9.98 9
97.1 7.6 7
97.2 5.1 5
97.4 4.24 4
97.5 5.73 5
97.6 7.7 7
97.7 9.3 9
97.8 9.96 9
97.9 9.93 9
98.0 9.67 9
98.1 9.09 9
99.3 4.15 4
99.4 4.99 4
99.5 6.09 6
99.6 6.8 6
99.7 7.47 7
99.8 8.5 8
99.9 9.48 9
100.0 9.63 9
100.1 9.2 9
100.2 8.98 8
100.3 9.2 9
100.4 9.32 9
100.5 8.71 8
100.6 7.11 7
101.4 5.01 5
101.5 7.12 7
101.6 8.73 8
101.7 8.21 8
101.8 6.43 6
102.1 4.94 4
102.2 5.87 5
102.3 7.62 7
102.4 9.27 9
102.5 9.63 9
102.6 8.72 8
102.7 8.22 8
102.8 8.68 8
102.9 8.45 8
103.0 6.31 6
103.2 3.84 3
103.3 6.56 6
103.4 9.64 9
103.5 10.87 10
103.6 9.99 9
103.9 8.51 8
104.0 10.81 10
104.1 12.7 12
104.2 12.46 12
104.3 10.13 10
104.4 7.14 7
104.6 5.28 5
104.7 7.01 7
104.8 8.97 8
104.9 10.06 10
105.0 10.74 10
105.1 12.23 12
105.2 14.24 14
105.3 14.98 14
106.7 7.17 7
106.8 8.04 8
106.9 9.31 9
107.0 9.9 9
107.1 9.7 9
107.2 10.15 10
107.3 12.25 12
107.4 14.32 14
107.5 13.38 13
107.6 9.09 9
108.6 9.23 9
108.7 9.48 9
108.8 10.62 10
108.9 12.77 12
109.0 14.31 14
109.1 13.17 13
109.2 9.61 9
109.4 7.53 7
109.5 10.93 10
109.6 13.52 13
109.7 13.16 13
109.8 11.09 11
110.0 10.19 10
110.1 11.44 11
110.2 12.36 12
110.3 12.48 12
110.4 11.74 11
110.5 9.58 9
110.6 6.39 6
110.8 4.14 4
110.9 6.2 6
111.0 8.5 8
111.1 10.11 10
111.2 11.02 11
111.3 11.36 11
111.4 11.13 11
111.5 10.19 10
111.6 8.61 8
112.4 6.54 6
112.5 8.04 8
112.6 10.33 10
112.7 12.04 12
112.8 12.79 12
112.9 12.64 12
113.0 11.48 11
113.1 9.65 9
113.2 7.93 7
113.3 6.67 6
113.5 5.36 5
113.6 6.26 6
113.7 8.27 8
113.8 10.66 10
113.9 12.53 12
114.0 12.68 12
114.1 10.41 10
114.2 7.12 7
114.4 6.28 6
114.5 7.74 7
114.6 8.34 8
114.7 8.34 8
114.8 8.58 8
114.9 9.4 9
115.0 10.49 10
115.1 11.31 11
115.2 11.22 11
115.3 10.17 10
116.2 3.62 3
116.3 5.7 5
116.4 7.16 7
116.5 6.67 6
116.8 4.56 4
116.9 7.54 7
117.0 10.73 10
117.1 12.39 12
117.2 12.62 12
117.3 12.5 12
117.4 12.25 12
117.5 11.02 11
117.6 8.63 8
117.8 7.05 7
117.9 9.09 9
118.0 10.59 10
118.1 9.57 9
118.4 5.34 5
118.5 9.58 9
118.6 13.13 13
118.7 12.73 12
118.8 8.92 8
118.9 5.04 5
119.1 4.19 4
119.2 5.51 5
119.3 6.25 6
119.4 6.16 6
119.5 6.2 6
119.6 7.68 7
119.7 10.63 10
119.8 13.5 13
119.9 14.65 14
120.0 13.73 13
120.1 11.21 11
120.2 8.14 8
120.4 6.76 6
120.5 9.06 9
120.6 11.25 11
120.7 12.07 12
120.8 11.84 11
120.9 12.01 11
121.0 13.25 13
121.1 14.89 14
121.2 15.72 15
121.3 15.47 15
121.4 14.93 14
121.5 14.44 14
121.6 13.63 13
121.7 11.9 11
121.8 9.65 9
122.1 9.25 9
122.2 10.26 10
122.3 11.1 11
122.4 12.1 12
122.5 12.62 12
122.6 11.94 11
122.7 10.45 10
122.8 9.35 9
123.1 8.21 8
123.2 8.86 8
123.3 10.44 10
123.4 11.49 11
123.5 10.89 10
123.6 8.75 8
123.7 6.08 6
123.9 4.6 4
124.0 6.41 6
124.1 7.85 7
124.2 8.11 8
124.3 8.78 8
124.4 11.26 11
124.5 14.59 14
124.6 16.16 16
124.7 14.47 14
124.8 10.45 10
125.1 6.85 6
125.2 10.34 10
125.3 13.88 13
125.4 16.06 16
125.5 15.92 15
125.6 13.52 13
125.7 10.28 10
125.8 7.92 7
125.9 6.74 6
126.0 5.82 5
126.3 4.33 4
126.4 6.68 6
126.5 9.38 9
126.6 10.38 10
126.7 8.96 8
127.4 5.18 5
127.5 7.79 7
127.6 10.47 10
127.7 10.51 10
127.8 8.73 8
127.9 8.39 8
128.0 11.1 11
128.1 14.42 14
128.2 14.69 14
128.3 11.24 11
128.4 6.9 6
128.5 4.38 4
128.7 3.84 3
128.8 4.35 4
128.9 5.9 5
129.0 8.12 8
129.1 9.44 9
129.2 8.85 8
129.3 7.23 7
129.6 6.03 6
129.7 6.95 6
129.8 8.32 8
129.9 9.59 9
130.0 9.96 9
130.1 9.01 9
130.2 6.83 6
130.5 4.52 4
130.6 7.62 7
130.7 9.88 9
130.8 9.52 9
130.9 7.34 7
131.2 6.36 6
131.3 6.79 6
131.4 6.93 6
131.5 7.23 7
131.6 7.19 7
131.7 6.27 6
132.3 7.01 7
132.4 7.56 7
132.5 8.65 8
132.6 9.64 9
132.7 9.72 9
132.8 8.75 8
133.1 7.79 7
133.2 8.38 8
133.3 8.51 8
133.4 8.45 8
133.5 8.4 8
133.6 8.29 8
133.7 8.4 8
133.8 9.09 9
133.9 10.24 10
134.0 11.28 11
134.1 11.65 11
134.2 10.81 10
134.3 8.48 8
134.6 4.77 4
134.7 8.72 8
134.8 12.35 12
134.9 12.56 12
135.0 9.63 9
136.2 6.88 6
136.3 9.18 9
136.4 11.66 11
136.5 12.76 12
136.6 13.14 13
136.7 13.71 13
136.8 13.86 13
136.9 12.37 12
137.0 9.94 9
137.7 7.71 7
137.8 8.74 8
137.9 9.53 9
138.0 9.36 9
138.1 8.04 8
138.3 6.44 6
138.4 7.82 7
138.5 9.17 9
138.6 8.91 8
139.4 7.12 7
139.5 8.63 8
139.6 9.46 9
139.7 9.83 9
139.8 10.3 10
139.9 10.99 10
140.0 11.68 11
140.1 12.31 12
140.2 12.5 12
140.3 11.6 11
140.4 9.47 9
140.6 6.07 6
140.7 7.75 7
140.8 10.73 10
140.9 11.95 11
141.0 10.01 9
141.2 6.41 6
141.3 8.79 8
141.4 12.13 12
141.5 13.39 13
141.6 11.28 11
142.9 7.8 7
143.0 9.82 9
143.1 11.71 11
143.2 12.17 12
143.3 11.25 11
143.4 10.11 10
143.5 9.09 9
143.6 7.77 7
143.7 6.32 6
144.5 5.59 5
144.6 6.73 6
144.7 9.25 9
144.8 11.14 11
144.9 9.96 9
145.0 5.9 5
145.2 2.98 2
145.3 6.72 6
145.4 9.61 9
145.5 8.79 8
146.4 4.94 4
146.5 6.24 6
146.6 7.22 7
146.7 7.94 7
146.8 8.61 8
146.9 9.01 9
147.0 8.85 8
147.1 8.06 8
147.2 6.67 6
147.5 4.94 4
147.6 8.06 8
147.7 11.47 11
147.8 12.76 12
147.9 11.44 11
148.0 9.19 9
148.1 7.77 7
148.2 7.4 7
148.3 6.95 6
148.5 4.86 4
148.6 5.99 5
148.7 8.57 8
148.8 10.42 10
148.9 10.41 10
149.0 9.38 9
149.1 8.74 8
149.2 8.62 8
149.3 7.82 7
149.4 5.52 5
149.7 2.99 2
149.8 5.73 5
149.9 7.35 7
150.0 7.42 7
150.1 7.62 7
150.2 8.48 8
150.3 8.75 8
150.6 6.5 6
150.7 7.95 7
150.8 9.76 9
150.9 11.13 11
151.0 11.15 11
151.1 9.13 9
151.2 5.84 5
151.4 4.13 4
151.5 6.96 6
151.6 10.57 10
151.7 13.56 13
151.8 14.81 14
151.9 14.05 14
152.0 12.36 12
153.4 6.2 6
153.5 7.22 7
153.6 9.14 9
153.7 10.97 10
153.8 12.06 12
153.9 12.47 12
154.0 12.47 12
154.1 11.91 11
154.2 10.63 10
154.3 8.69 8
154.5 6.99 6
154.6 8.86 8
154.7 11.04 11
154.8 11.44 11
154.9 9.69 9
155.1 6.88 6
155.2 8.62 8
155.3 11.07 11
155.4 11.97 11
155.5 10.97 10
155.6 10.0 9
155.7 10.69 10
155.8 12.34 12
155.9 13.05 13
156.0 11.59 11
156.1 8.8 8
156.3 7.41 7
156.4 9.98 9
156.5 11.95 11
156.6 11.24 11
156.7 8.81 8
157.3 4.75 4
157.4 7.11 7
157.5 10.27 10
157.6 11.39 11
157.7 9.77 9
157.8 7.07 7
158.1 5.34 5
158.2 6.44 6
158.3 7.52 7
158.4 8.42 8
158.5 8.92 8
158.6 9.14 9
158.7 10.0 9
158.8 11.73 11
158.9 12.57 12
159.0 10.45 10
159.1 6.26 6
159.3 4.18 4
159.4 6.73 6
159.5 8.63 8
159.6 9.07 9
159.7 8.6 8
159.8 7.36 7
159.9 5.33 5
160.1 2.97 2
160.2 4.64 4
160.3 7.36 7
160.4 9.26 9
160.5 9.31 9
160.6 8.63 8
160.7 8.83 8
160.8 9.59 9
160.9 8.97 8
161.0 6.64 6
161.2 5.1 5
161.3 6.9 6
161.4 8.29 8
161.5 8.61 8
161.6 8.71 8
161.7 9.3 9
161.8 9.92 9
161.9 9.67 9
162.0 8.26 8
162.3 5.23 5
162.4 8.0 7
162.5 10.98 10
162.6 11.83 11
162.7 10.4 10
162.8 8.6 8
162.9 7.94 7
163.0 7.89 7
163.3 6.95 6
163.4 8.69 8
163.5 10.12 10
163.6 10.12 10
163.7 9.55 9
163.8 9.57 9
163.9 9.31 9
164.0 7.18 7
164.3 4.41 4
164.4 7.58 7
164.5 9.3 9
164.6 8.85 8
164.7 7.91 7
164.8 8.02 8
164.9 8.9 8
165.0 9.01 9
165.1 7.93 7
165.2 6.7 6
165.3 5.81 5
165.6 3.98 3
165.7 7.1 7
165.8 11.47 11
165.9 13.97 13
166.0 12.46 12
166.1 7.56 7
166.4 3.55 3
166.5 7.41 7
166.6 10.47 10
166.7 12.29 12
166.8 12.9 12
166.9 11.91 11
167.0 9.7 9
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//
