MassBank Record: MSBNK-RIKEN_NPDepo-NGA04497
ACCESSION: MSBNK-RIKEN_NPDepo-NGA04497
RECORD_TITLE: Lagochilin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HCOO]-
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Diterpenoids, Lagochilin diterpenoids
CH$NAME: Lagochilin
CH$COMPOUND_CLASS: Terpenoids
CH$FORMULA: C20H36O5
CH$EXACT_MASS: 356.5069
CH$SMILES: C[C@@H]1CCC2[C@](C)(CC[C@H](O)[C@@]2(C)CO)[C@]12CCC(CO)(CCO)O2
CH$IUPAC: InChI=1S/C20H36O5/c1-14-4-5-15-17(2,12-22)16(24)6-7-18(15,3)20(14)9-8-19(13-23,25-20)10-11-21/h14-16,21-24H,4-13H2,1-3H3/t14-,15?,16+,17+,18+,19?,20+/m1/s1
CH$LINK: CAS
23554-81-6
CH$LINK: CHEMSPIDER
5140873
CH$LINK: INCHIKEY
XYPPDQHBNJURHU-SSLRCSEFSA-N
CH$LINK: PUBCHEM
CID:23010489
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$FOCUSED_ION: PRECURSOR_TYPE [M+HCOO]-
PK$SPLASH: splash10-03gi-4898880000-54205e20d65edc1c843e
PK$NUM_PEAK: 4068
PK$PEAK: m/z int. rel.int.
50.3 15.7 15
50.4 21.99 21
50.5 26.0 25
50.6 24.1 24
50.7 18.08 18
50.9 14.34 14
51.0 20.11 20
51.1 25.14 25
51.2 24.74 24
51.3 19.49 19
51.5 13.62 13
51.6 17.51 17
51.7 22.02 21
51.8 22.66 22
51.9 18.4 18
52.2 13.08 13
52.3 18.77 18
52.4 22.39 22
52.5 21.1 21
52.8 16.02 16
52.9 21.67 21
53.0 25.78 25
53.1 24.27 24
53.2 17.78 17
53.5 12.16 12
53.6 17.41 17
53.7 20.88 20
53.8 20.98 20
53.9 18.85 18
54.1 17.24 17
54.2 19.79 19
54.3 22.91 22
54.4 23.63 23
54.5 20.65 20
54.6 16.34 16
54.8 15.9 15
54.9 18.75 18
55.0 19.94 19
55.3 17.14 17
55.4 20.43 20
55.5 23.77 23
55.6 23.55 23
55.7 19.42 19
56.0 13.42 13
56.1 18.3 18
56.2 22.29 22
56.3 21.3 21
56.4 15.35 15
56.6 9.14 9
56.7 14.88 14
56.8 22.36 22
56.9 25.43 25
57.0 21.42 21
57.1 13.52 13
57.3 10.7 10
57.4 17.58 17
57.5 23.23 23
57.6 23.95 23
57.7 21.12 21
57.9 18.45 18
58.0 21.0 20
58.1 23.53 23
58.2 22.96 22
58.3 18.65 18
58.4 13.03 13
58.6 10.75 10
58.7 15.08 15
58.8 19.09 19
58.9 19.64 19
59.0 16.77 16
59.2 13.97 13
59.3 17.98 17
59.4 23.03 23
59.5 24.76 24
59.6 20.58 20
59.7 12.95 12
59.9 9.31 9
60.0 16.12 16
60.1 22.63 22
60.2 23.75 23
60.3 19.54 19
60.5 14.09 14
60.6 17.31 17
60.7 20.78 20
60.8 21.37 21
60.9 18.72 18
61.1 14.56 14
61.2 17.9 17
61.3 22.56 22
61.4 24.02 23
61.5 20.11 20
61.6 13.74 13
61.8 12.63 12
61.9 18.0 17
62.0 20.93 20
62.1 19.02 19
62.4 15.3 15
62.5 19.94 19
62.6 23.87 23
62.7 24.0 23
62.8 19.44 19
62.9 12.9 12
63.1 11.32 11
63.2 17.71 17
63.3 22.76 22
63.4 21.4 21
63.5 14.29 14
63.7 9.88 9
63.8 18.6 18
63.9 27.07 27
64.0 28.58 28
64.1 22.88 22
64.2 15.01 14
64.4 13.72 13
64.5 19.99 19
64.6 23.5 23
64.7 21.03 21
64.8 15.45 15
65.0 14.81 14
65.1 19.71 19
65.2 22.76 22
65.3 21.03 21
65.4 15.53 15
65.6 11.39 11
65.7 17.06 17
65.8 22.59 22
65.9 22.71 22
66.0 17.41 17
66.2 10.18 10
66.3 15.01 14
66.4 22.26 22
66.5 25.66 25
66.6 22.21 22
66.7 15.21 15
66.9 11.96 11
67.0 16.74 16
67.1 20.83 20
67.2 21.47 21
67.3 18.67 18
67.5 14.64 14
67.6 17.21 17
67.7 20.53 20
67.8 21.42 21
67.9 18.85 18
68.2 14.14 14
68.3 19.29 19
68.4 23.43 23
68.5 22.68 22
68.6 17.48 17
68.8 12.46 12
68.9 17.09 17
69.0 21.62 21
69.1 21.45 21
69.2 16.99 16
69.4 13.62 13
69.5 18.52 18
69.6 23.8 23
69.7 25.58 25
69.8 22.76 22
69.9 17.41 17
70.1 12.06 12
70.2 15.06 15
70.3 19.47 19
70.4 21.35 21
70.5 18.62 18
70.7 10.97 10
70.8 14.46 14
70.9 21.1 21
71.0 24.62 24
71.1 21.64 21
71.4 14.78 14
71.5 20.51 20
71.6 24.44 24
71.7 23.16 23
71.8 17.51 17
72.0 12.06 12
72.1 16.82 16
72.2 21.59 21
72.3 21.77 21
72.4 16.99 16
72.7 10.85 10
72.8 16.91 16
72.9 22.56 22
73.0 24.12 24
73.1 21.2 21
73.2 17.01 16
73.3 14.86 14
73.4 14.96 14
73.5 15.08 15
73.6 13.57 13
73.9 9.48 9
74.0 15.45 15
74.1 23.25 23
74.2 26.77 26
74.3 22.86 22
74.4 15.3 15
74.6 12.93 12
74.7 18.42 18
74.8 22.07 22
74.9 20.75 20
75.0 15.97 15
75.2 13.5 13
75.3 18.8 18
75.4 23.48 23
75.5 22.91 22
75.6 17.58 17
75.8 12.06 12
75.9 15.75 15
76.0 19.94 19
76.1 21.52 21
76.2 19.91 19
76.4 14.96 14
76.5 16.86 16
76.6 21.74 21
76.7 25.48 25
76.8 24.15 24
76.9 17.95 17
77.1 11.14 11
77.2 16.34 16
77.3 22.46 22
77.4 23.68 23
77.5 18.95 18
77.6 12.53 12
77.8 12.23 12
77.9 17.06 17
78.0 19.81 19
78.1 18.75 18
79.0 10.03 10
79.1 14.86 14
79.2 22.63 22
79.3 27.41 27
79.4 25.46 25
79.5 17.86 17
79.6 9.86 9
79.8 10.4 10
79.9 15.7 15
80.0 18.1 18
80.1 17.01 16
80.2 15.75 15
80.3 17.06 17
80.4 20.58 20
80.5 23.82 23
80.6 24.64 24
80.7 22.71 22
80.8 19.49 19
81.0 17.83 17
81.1 20.63 20
81.2 23.68 23
81.3 24.39 24
81.4 21.64 21
81.5 16.89 16
81.7 15.26 15
81.8 19.37 19
81.9 21.89 21
82.0 20.18 20
82.3 16.15 16
82.4 21.12 21
82.5 24.47 24
82.6 22.93 22
82.7 17.19 17
82.9 9.96 9
83.0 13.97 13
83.1 19.07 19
83.2 19.86 19
83.3 15.18 15
83.5 9.41 9
83.6 15.53 15
83.7 22.96 22
83.8 25.06 25
83.9 19.91 19
84.2 12.11 12
84.3 19.44 19
84.4 24.76 24
84.5 24.15 24
84.6 18.23 18
84.9 12.75 12
85.0 17.98 17
85.1 20.95 20
85.2 20.13 20
85.3 16.82 16
85.5 13.87 13
85.6 17.16 17
85.7 20.78 20
85.8 21.37 21
85.9 18.7 18
86.7 16.2 16
86.8 20.01 19
86.9 23.43 23
87.0 22.96 22
87.1 18.42 18
87.4 13.74 13
87.5 19.24 19
87.6 23.92 23
87.7 24.62 24
87.8 20.98 20
87.9 16.17 16
88.5 13.37 13
88.6 14.44 14
88.7 16.64 16
88.8 19.37 19
88.9 20.68 20
89.0 18.67 18
89.8 7.8 7
89.9 11.27 11
90.0 16.15 16
90.1 20.53 20
90.2 22.59 22
90.3 20.6 20
90.4 15.58 15
90.6 12.58 12
90.7 16.39 16
90.8 18.5 18
90.9 16.34 16
91.2 12.78 12
91.3 17.48 17
91.4 20.78 20
91.5 20.31 20
91.6 16.3 16
91.8 11.34 11
91.9 16.77 16
92.0 24.69 24
92.1 28.63 28
92.2 25.21 25
92.3 17.43 17
92.5 12.21 12
92.6 18.15 18
92.7 24.44 24
92.8 26.15 26
92.9 22.19 22
93.0 16.1 16
93.8 10.62 10
93.9 19.07 19
94.0 24.52 24
94.1 21.97 21
94.2 14.49 14
94.4 12.01 11
94.5 18.8 18
94.6 23.87 23
94.7 23.2 23
94.8 17.71 17
95.0 11.02 11
95.1 14.49 14
95.2 19.12 19
95.3 21.17 21
95.4 19.66 19
95.5 16.44 16
95.7 14.24 14
95.8 16.52 16
95.9 19.14 19
96.0 19.37 19
96.1 16.07 16
96.3 11.54 11
96.4 16.54 16
96.5 23.6 23
96.6 26.89 26
96.7 23.38 23
96.8 15.92 15
97.0 12.16 12
97.1 17.46 17
97.2 21.42 21
97.3 21.12 21
97.4 17.93 17
97.6 14.69 14
97.7 17.41 17
97.8 22.14 22
97.9 26.03 26
98.0 25.93 25
98.1 21.45 21
98.9 10.35 10
99.0 14.96 14
99.1 20.48 20
99.2 22.26 22
99.3 18.95 18
99.5 12.26 12
99.6 16.3 16
99.7 22.34 22
99.8 23.95 23
99.9 18.65 18
100.0 10.85 10
100.2 10.45 10
100.3 16.74 16
100.4 21.12 21
100.5 21.2 21
100.6 18.35 18
100.8 15.92 15
100.9 18.62 18
101.0 21.5 21
101.1 21.94 21
101.2 19.12 19
101.3 14.88 14
101.5 12.95 12
101.6 15.7 15
101.7 17.73 17
102.0 14.59 14
102.1 17.68 17
102.2 22.86 22
102.3 25.98 25
102.4 24.47 24
102.5 19.54 19
102.7 13.92 13
102.8 16.67 16
102.9 20.51 20
103.0 21.89 21
103.1 19.47 19
103.3 13.37 13
103.4 16.15 16
103.5 22.31 22
103.6 27.04 27
103.7 25.9 25
103.8 19.02 19
103.9 11.22 11
104.1 9.98 9
104.2 14.74 14
104.3 17.61 17
104.4 16.34 16
104.7 12.68 12
104.8 17.88 17
104.9 21.87 21
105.0 21.27 21
105.1 16.99 16
105.3 14.24 14
105.4 19.32 19
105.5 23.77 23
105.6 22.88 22
105.7 16.86 16
105.9 9.98 9
106.0 14.46 14
106.1 20.53 20
106.2 23.25 23
106.3 20.41 20
106.4 14.61 14
106.6 13.55 13
106.7 18.8 18
106.8 21.82 21
106.9 19.96 19
107.2 13.89 13
107.3 19.12 19
107.4 24.05 24
107.5 24.64 24
107.6 20.83 20
107.8 16.34 16
107.9 20.08 20
108.0 24.2 24
108.1 24.59 24
108.2 20.13 20
108.3 14.12 14
108.5 13.37 13
108.6 18.35 18
108.7 22.16 22
108.8 22.09 22
108.9 18.4 18
109.1 13.6 13
109.2 17.56 17
109.3 22.76 22
109.4 24.52 24
109.5 21.67 21
109.6 16.99 16
109.8 13.89 13
109.9 16.79 16
110.0 20.63 20
110.1 22.14 22
110.2 19.17 19
111.0 10.3 10
111.1 14.83 14
111.2 21.77 21
111.3 25.38 25
111.4 23.7 23
111.5 18.99 18
111.7 15.28 15
111.8 18.67 18
111.9 21.72 21
112.0 20.8 20
112.3 15.85 15
112.4 22.14 22
112.5 27.14 27
112.6 25.9 25
112.7 18.85 18
112.9 11.32 11
113.0 18.35 18
113.1 26.99 26
113.2 29.84 29
113.3 25.16 25
113.4 18.42 18
114.2 17.09 17
114.3 18.28 18
114.4 19.07 19
114.5 19.61 19
114.6 19.14 19
114.7 16.59 16
115.5 10.45 10
115.6 14.91 14
115.7 22.26 22
115.8 26.03 26
115.9 22.76 22
116.8 8.54 8
116.9 15.01 14
117.0 21.62 21
117.1 22.66 22
117.2 17.31 17
117.4 8.12 8
117.5 12.48 12
117.6 19.89 19
117.7 24.69 24
117.8 24.27 24
117.9 20.41 20
118.7 11.47 11
118.8 16.0 15
118.9 21.07 21
119.0 22.41 22
119.1 19.02 19
119.4 13.79 13
119.5 18.75 18
119.6 22.39 22
119.7 22.04 22
119.8 18.0 17
120.0 11.76 11
120.1 14.83 14
120.2 19.19 19
120.3 19.89 19
120.4 15.82 15
120.6 10.77 10
120.7 15.63 15
120.8 21.59 21
120.9 23.5 23
121.0 19.81 19
121.1 13.52 13
121.3 11.59 11
121.4 18.08 18
121.5 24.69 24
121.6 26.57 26
121.7 22.36 22
121.8 15.45 15
122.0 12.9 12
122.1 18.05 18
122.2 21.5 21
122.3 19.99 19
122.5 14.56 14
122.6 18.18 18
122.7 23.58 23
122.8 25.8 25
122.9 22.88 22
123.0 17.06 17
123.2 13.0 12
123.3 17.53 17
123.4 22.91 22
123.5 25.01 24
123.6 22.11 22
123.7 16.39 16
123.9 13.67 13
124.0 17.61 17
124.1 19.91 19
124.2 18.08 18
125.1 7.58 7
125.2 12.51 12
125.3 18.67 18
125.4 21.84 21
125.5 20.36 20
125.6 16.59 16
125.8 14.98 14
125.9 18.33 18
126.0 21.15 21
126.1 21.0 20
126.2 18.35 18
126.4 16.12 16
126.5 19.34 19
126.6 22.54 22
126.7 22.31 22
126.8 18.3 18
127.1 13.97 13
127.2 18.33 18
127.3 20.63 20
127.4 19.29 19
128.3 11.32 11
128.4 17.81 17
128.5 24.24 24
128.6 25.31 25
128.7 21.12 21
128.8 16.22 16
129.0 14.78 14
129.1 16.79 16
129.2 18.57 18
129.3 18.7 18
129.6 15.45 15
129.7 19.76 19
129.8 23.53 23
129.9 22.14 22
130.0 15.38 15
130.2 6.86 6
130.3 13.3 13
130.4 22.88 22
130.5 28.28 28
130.6 25.8 25
130.7 17.86 17
131.0 11.47 11
131.1 16.44 16
131.2 19.24 19
131.5 16.22 16
131.6 19.69 19
131.7 24.52 24
131.8 26.28 26
131.9 22.83 22
132.0 16.2 16
132.2 10.72 10
132.3 15.97 15
132.4 22.59 22
132.5 25.31 25
132.6 22.07 22
132.7 16.0 15
132.9 15.13 15
133.0 20.33 20
133.1 23.06 23
133.2 20.78 20
133.4 15.33 15
133.5 18.62 18
133.6 23.11 23
133.7 24.42 24
133.8 21.4 21
133.9 16.1 16
134.1 10.67 10
134.2 13.35 13
134.3 17.21 17
134.4 18.6 18
134.5 16.22 16
134.7 12.7 12
134.8 16.54 16
134.9 20.95 20
135.0 22.02 21
135.1 18.8 18
135.4 12.36 12
135.5 18.13 18
135.6 23.77 23
135.7 24.22 24
135.8 18.72 18
136.0 11.96 11
136.1 17.76 17
136.2 25.11 25
136.3 27.74 27
136.4 23.35 23
136.5 15.53 15
136.7 12.31 12
136.8 18.3 18
136.9 22.93 22
137.0 22.14 22
137.1 17.06 17
137.3 13.79 13
137.4 18.15 18
137.5 21.15 21
137.6 19.51 19
137.7 14.56 14
137.9 11.07 11
138.0 15.73 15
138.1 21.42 21
138.2 24.22 24
138.3 22.21 22
138.4 17.31 17
138.6 14.76 14
138.7 19.04 19
138.8 22.54 22
138.9 21.99 21
139.2 17.58 17
139.3 21.99 21
139.4 24.84 24
139.5 23.2 23
139.6 18.4 18
139.8 13.74 13
139.9 16.91 16
140.0 21.45 21
140.1 23.7 23
140.2 21.35 21
140.3 15.92 15
140.5 12.65 12
140.6 17.73 17
140.7 23.28 23
140.8 24.91 24
140.9 21.12 21
141.0 15.28 15
141.7 13.97 13
141.8 18.08 18
141.9 22.36 22
142.0 23.16 23
142.1 19.96 19
142.3 15.08 15
142.4 18.13 18
142.5 22.11 22
142.6 23.3 23
142.7 20.23 20
142.8 14.61 14
143.0 9.86 9
143.1 14.83 14
143.2 21.64 21
143.3 25.04 25
143.4 22.96 22
143.5 18.3 18
143.7 15.92 15
143.8 18.52 18
143.9 21.03 21
144.0 21.72 21
144.1 19.99 19
144.3 16.32 16
144.4 18.87 18
144.5 22.61 22
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145.0 13.1 13
145.1 19.04 19
145.2 23.33 23
145.3 22.73 22
145.4 17.73 17
145.6 11.54 11
145.7 15.38 15
145.8 19.47 19
145.9 19.81 19
146.2 17.16 17
146.3 19.44 19
146.4 21.25 21
146.5 22.21 22
146.6 21.4 21
146.7 17.88 17
146.9 12.8 12
147.0 16.44 16
147.1 20.16 20
147.2 19.32 19
147.3 14.12 14
147.5 8.49 8
147.6 13.2 13
147.7 19.32 19
147.8 21.55 21
147.9 18.03 18
148.1 10.55 10
148.2 13.99 13
148.3 20.01 19
148.4 23.6 23
148.5 21.59 21
148.6 15.73 15
148.8 12.73 12
148.9 18.25 18
149.0 23.06 23
149.1 23.8 23
149.2 20.83 20
149.3 16.94 16
149.5 14.64 14
149.6 16.74 16
149.7 19.19 19
149.8 20.08 20
149.9 18.72 18
150.1 16.42 16
150.2 18.52 18
150.3 20.41 20
150.4 19.47 19
150.5 15.75 15
150.7 12.31 12
150.8 15.82 15
150.9 19.89 19
151.0 20.55 20
151.1 17.09 17
151.3 12.75 12
151.4 16.12 16
151.5 19.99 19
151.6 21.3 21
151.7 19.29 19
151.8 15.4 15
152.0 11.99 11
152.1 14.51 14
152.2 17.78 17
152.3 19.17 19
152.4 17.34 17
153.2 9.88 9
153.3 15.58 15
153.4 23.16 23
153.5 27.41 27
153.6 26.2 26
153.7 20.95 20
153.8 14.86 14
154.0 12.61 12
154.1 16.82 16
154.2 20.18 20
154.3 20.58 20
154.4 19.32 19
154.5 18.72 18
154.6 20.23 20
154.7 23.28 23
154.8 25.21 25
154.9 23.08 23
155.0 17.63 17
155.2 14.46 14
155.3 18.8 18
155.4 21.55 21
155.5 19.32 19
155.6 13.3 13
155.8 8.96 8
155.9 15.8 15
156.0 23.2 23
156.1 24.1 24
156.2 17.63 17
157.1 13.82 13
157.2 18.7 18
157.3 21.12 21
157.4 18.42 18
157.5 12.93 12
157.7 10.82 10
157.8 16.52 16
157.9 22.78 22
158.0 25.53 25
158.1 23.18 23
158.2 17.68 17
158.4 14.29 14
158.5 20.11 20
158.6 26.28 26
158.7 26.94 26
158.8 20.65 20
158.9 12.11 12
159.1 11.14 11
159.2 17.34 17
159.3 20.7 20
159.4 18.82 18
159.7 13.15 13
159.8 18.67 18
159.9 24.07 24
160.0 25.41 25
160.1 21.97 21
160.2 16.64 16
160.9 6.09 6
161.0 11.19 11
161.1 20.06 20
161.2 25.73 25
161.3 23.95 23
161.4 16.22 16
161.6 6.34 6
161.7 11.99 11
161.8 20.73 20
161.9 25.61 25
162.0 23.7 23
162.1 18.0 17
162.8 12.98 12
162.9 15.01 14
163.0 21.55 21
163.1 27.29 27
163.2 26.52 26
163.3 19.27 19
163.5 9.78 9
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//
