MassBank Record: MSBNK-RIKEN_NPDepo-NGA04498
ACCESSION: MSBNK-RIKEN_NPDepo-NGA04498
RECORD_TITLE: Lagochilin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [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: splash10-008a-4888890000-5ed58f88d76752be3216
PK$NUM_PEAK: 4008
PK$PEAK: m/z int. rel.int.
50.4 11.67 11
50.5 15.21 15
50.6 17.71 17
50.7 16.58 16
50.8 12.27 12
51.0 7.39 7
51.1 10.76 10
51.2 14.97 14
51.3 16.7 16
51.4 15.33 15
51.6 12.05 12
51.7 14.61 14
51.8 19.73 19
51.9 23.46 23
52.0 21.54 21
52.1 14.22 14
52.3 7.72 7
52.4 14.58 14
52.5 22.21 22
52.6 24.52 24
52.7 20.24 20
52.8 12.75 12
53.0 6.62 6
53.1 11.45 11
53.2 17.32 17
53.3 19.18 19
53.4 15.98 15
54.2 10.61 10
54.3 13.07 13
54.4 17.66 17
54.5 20.6 20
54.6 19.54 19
54.7 15.16 15
55.0 10.8 10
55.1 13.88 13
55.2 15.26 15
55.3 14.58 14
55.4 13.62 13
55.5 14.17 14
55.6 16.67 16
55.7 19.75 19
55.8 20.81 20
55.9 17.61 17
56.0 11.38 11
56.2 7.44 7
56.3 12.37 12
56.4 16.87 16
56.5 17.69 17
56.6 15.42 15
56.8 13.57 13
56.9 16.24 16
57.0 18.84 18
57.1 18.7 18
57.2 15.04 15
57.3 9.67 9
57.5 7.22 7
57.6 12.54 12
57.7 17.64 17
57.8 18.19 18
58.7 6.4 6
58.8 12.05 12
58.9 17.61 17
59.0 19.13 19
59.1 15.98 15
59.3 9.12 9
59.4 13.67 13
59.5 21.9 21
59.6 26.37 26
59.7 22.14 22
59.8 11.89 11
60.0 2.79 2
60.1 9.26 9
60.2 17.2 17
60.3 20.6 20
60.4 17.66 17
60.5 11.74 11
60.7 10.35 10
60.8 15.5 15
60.9 18.86 18
61.0 17.37 17
61.1 12.51 12
61.3 9.07 9
61.4 13.86 13
61.5 18.65 18
61.6 18.98 18
61.7 14.58 14
62.0 9.77 9
62.1 15.66 15
62.2 20.0 19
62.3 18.41 18
62.4 11.72 11
62.6 5.87 5
62.7 11.14 11
62.8 17.04 17
62.9 19.25 19
63.0 16.96 16
63.2 12.44 12
63.3 15.95 15
63.4 20.6 20
63.5 21.75 21
63.6 18.17 18
63.8 12.58 12
63.9 16.41 16
64.0 20.69 20
64.1 20.14 20
64.2 14.56 14
64.4 8.85 8
64.5 13.45 13
64.6 18.55 18
64.7 20.26 20
64.8 17.64 17
64.9 12.18 12
65.1 7.34 7
65.2 13.04 13
65.3 20.79 20
65.4 24.69 24
65.5 21.8 21
65.6 14.92 14
65.8 10.35 10
65.9 14.39 14
66.0 17.93 17
66.1 18.29 18
66.2 15.62 15
66.4 11.86 11
66.5 15.35 15
66.6 20.28 20
66.7 21.63 21
66.8 17.37 17
66.9 10.56 10
67.1 8.9 8
67.2 14.34 14
67.3 17.9 17
67.4 16.07 16
67.5 10.49 10
67.7 7.58 7
67.8 14.0 13
67.9 20.6 20
68.0 21.9 21
68.1 17.3 17
68.2 11.36 11
68.4 10.73 10
68.5 14.22 14
68.6 16.34 16
68.7 15.35 15
69.0 11.07 11
69.1 15.76 15
69.2 20.67 20
69.3 22.26 22
69.4 19.59 19
69.5 15.4 15
70.2 8.78 8
70.3 13.26 13
70.4 20.5 20
70.5 25.22 25
70.6 23.94 23
70.7 17.83 17
70.8 11.31 11
71.5 10.2 10
71.6 15.16 15
71.7 20.48 20
71.8 21.75 21
71.9 17.44 17
72.0 10.37 10
72.2 7.44 7
72.3 14.63 14
72.4 21.58 21
72.5 22.5 22
72.6 17.08 17
72.8 9.12 9
72.9 13.02 13
73.0 18.14 18
73.1 19.39 19
73.2 15.35 15
74.1 10.37 10
74.2 15.4 15
74.3 18.96 18
74.4 18.48 18
74.5 14.63 14
74.7 10.85 10
74.8 14.41 14
74.9 18.48 18
75.0 19.13 19
75.1 15.23 15
75.3 7.84 7
75.4 11.62 11
75.5 18.67 18
75.6 23.46 23
75.7 22.35 22
75.8 16.41 16
76.0 8.13 8
76.1 11.86 11
76.2 18.29 18
76.3 21.61 21
76.4 18.26 18
76.5 10.47 10
76.7 5.73 5
76.8 12.1 12
76.9 17.69 17
77.0 17.44 17
77.1 12.2 12
77.3 7.82 7
77.4 12.68 12
77.5 17.61 17
77.6 18.43 18
77.7 14.61 14
78.0 9.77 9
78.1 14.99 14
78.2 18.43 18
78.3 17.3 17
79.2 8.42 8
79.3 13.79 13
79.4 19.73 19
79.5 21.7 21
79.6 18.31 18
79.7 12.75 12
79.9 11.65 11
80.0 15.98 15
80.1 18.7 18
80.2 17.11 17
80.3 12.32 12
80.5 9.48 9
80.6 14.85 14
80.7 20.02 19
80.8 20.28 20
80.9 15.23 15
81.2 9.82 9
81.3 14.22 14
81.4 16.41 16
81.5 15.01 14
81.8 10.35 10
81.9 14.22 14
82.0 17.78 17
82.1 17.88 17
82.2 14.65 14
82.4 11.09 11
82.5 14.58 14
82.6 18.0 17
82.7 17.35 17
82.8 12.66 12
83.0 7.41 7
83.1 11.14 11
83.2 16.7 16
83.3 20.52 20
83.4 20.16 20
83.5 16.0 15
83.6 11.16 11
83.8 10.9 10
83.9 14.1 14
84.0 15.71 15
84.1 14.73 14
84.2 13.16 13
84.3 13.72 13
84.4 16.87 16
84.5 20.21 20
84.6 20.69 20
84.7 17.64 17
85.6 9.89 9
85.7 15.4 15
85.8 19.8 19
85.9 19.73 19
86.0 14.92 14
86.3 8.37 8
86.4 14.1 14
86.5 17.81 17
86.6 16.22 16
86.9 10.2 10
87.0 15.88 15
87.1 20.12 20
87.2 19.13 19
87.3 13.72 13
87.5 8.08 8
87.6 12.03 12
87.7 16.53 16
87.8 17.56 17
87.9 14.53 14
88.1 8.42 8
88.2 11.07 11
88.3 15.88 15
88.4 18.48 18
88.5 16.63 16
88.6 12.37 12
88.9 10.47 10
89.0 12.82 12
89.1 14.82 14
89.2 15.16 15
90.1 9.31 9
90.2 16.96 16
90.3 24.09 24
90.4 24.4 24
90.5 17.97 17
91.3 12.51 12
91.4 15.52 15
91.5 18.84 18
91.6 19.18 19
91.7 15.5 15
92.0 10.54 10
92.1 16.41 16
92.2 21.63 21
92.3 22.93 22
92.4 19.9 19
92.5 14.53 14
93.3 11.5 11
93.4 14.75 14
93.5 18.86 18
93.6 20.16 20
93.7 17.52 17
93.9 12.78 12
94.0 15.83 15
94.1 20.48 20
94.2 22.95 22
94.3 21.7 21
94.4 18.6 18
94.5 16.05 16
94.6 14.65 14
95.2 13.76 13
95.3 15.09 15
95.4 16.92 16
95.5 17.08 17
95.6 14.8 14
95.8 12.27 12
95.9 14.89 14
96.0 17.44 17
96.1 17.35 17
96.2 14.34 14
97.0 13.02 13
97.1 15.93 15
97.2 20.28 20
97.3 24.47 24
97.4 26.61 26
97.5 24.86 24
97.6 18.89 18
97.7 11.33 11
97.8 5.9 5
97.9 4.19 4
98.0 4.48 4
98.1 4.07 4
98.3 0.24 0
98.4 2.62 2
98.5 10.73 10
98.6 20.43 20
98.7 24.13 24
98.8 18.7 18
98.9 9.5 9
99.1 9.34 9
99.2 16.96 16
99.3 20.74 20
99.4 17.37 17
99.7 10.03 10
99.8 16.89 16
99.9 21.49 21
100.0 20.07 20
100.1 13.88 13
100.3 6.23 6
100.4 10.73 10
100.5 17.85 17
100.6 21.82 21
100.7 19.56 19
100.8 13.4 13
101.0 8.81 8
101.1 12.58 12
101.2 16.24 16
101.3 16.46 16
101.4 13.14 13
101.6 9.87 9
101.7 14.51 14
101.8 19.15 19
101.9 18.79 18
102.0 12.92 12
102.2 3.97 3
102.3 7.72 7
102.4 14.29 14
102.5 19.23 19
102.6 19.56 19
102.7 15.42 15
102.8 9.91 9
103.0 9.31 9
103.1 13.5 13
103.2 15.62 15
103.3 13.28 13
103.4 8.04 8
103.6 5.17 5
103.7 11.02 11
103.8 17.18 17
103.9 19.08 19
104.0 16.36 16
104.8 8.81 8
104.9 13.35 13
105.0 18.62 18
105.1 20.24 20
105.2 16.51 16
105.4 8.25 8
105.5 12.18 12
105.6 19.44 19
105.7 23.24 23
105.8 19.27 19
105.9 10.3 10
106.1 6.5 6
106.2 14.99 14
106.3 22.28 22
106.4 22.81 22
106.5 17.73 17
106.7 12.25 12
106.8 15.83 15
106.9 19.51 19
107.0 19.49 19
107.1 15.06 15
107.3 7.17 7
107.4 10.66 10
107.5 17.66 17
107.6 22.52 22
107.7 20.91 20
107.8 14.17 14
108.0 8.78 8
108.1 13.76 13
108.2 18.29 18
108.3 18.24 18
108.4 13.62 13
108.6 6.23 6
108.7 9.84 9
108.8 15.81 15
108.9 18.5 18
109.0 15.47 15
109.3 10.8 10
109.4 16.36 16
109.5 19.97 19
109.6 19.51 19
109.7 15.81 15
110.5 8.37 8
110.6 13.19 13
110.7 20.33 20
110.8 24.86 24
110.9 23.2 23
111.0 16.03 16
111.2 7.29 7
111.3 12.44 12
111.4 18.94 18
111.5 20.4 20
111.6 15.52 15
111.8 6.93 6
111.9 11.04 11
112.0 17.2 17
112.1 19.97 19
112.2 17.69 17
112.3 13.04 13
112.5 9.07 9
112.6 11.43 11
112.7 14.58 14
112.8 15.28 15
112.9 11.89 11
113.1 5.25 5
113.2 9.72 9
113.3 17.52 17
113.4 22.47 22
113.5 20.55 20
113.6 13.09 13
113.8 5.9 5
113.9 12.15 12
114.0 19.8 19
114.1 22.81 22
114.2 19.9 19
114.3 15.11 15
115.0 8.54 8
115.1 11.72 11
115.2 16.46 16
115.3 18.17 18
115.4 14.49 14
115.5 7.72 7
115.7 3.99 3
115.8 10.08 10
115.9 16.84 16
116.0 19.85 19
116.1 18.19 18
116.2 14.36 14
116.4 11.5 11
116.5 14.08 14
116.6 17.23 17
116.7 17.95 17
116.8 15.04 15
117.0 10.8 10
117.1 15.09 15
117.2 20.09 20
117.3 21.17 21
117.4 17.73 17
117.6 12.56 12
117.7 15.5 15
117.8 19.1 19
117.9 19.25 19
118.0 14.63 14
118.1 8.59 8
118.3 8.23 8
118.4 12.1 12
118.5 14.08 14
118.6 13.96 13
118.7 13.69 13
118.8 14.53 14
118.9 16.12 16
119.0 17.28 17
119.1 16.87 16
119.2 14.58 14
119.5 10.8 10
119.6 14.68 14
119.7 19.01 18
119.8 20.12 20
119.9 16.53 16
120.1 10.15 10
120.2 14.22 14
120.3 19.27 19
120.4 20.36 20
120.5 16.63 16
120.8 12.15 12
120.9 17.9 17
121.0 22.04 22
121.1 21.41 21
121.2 17.11 17
121.4 12.97 12
121.5 16.99 16
121.6 21.73 21
121.7 22.06 22
121.8 15.83 15
122.0 3.85 3
122.1 9.34 9
122.2 19.32 19
122.3 25.84 25
122.4 24.18 24
122.5 16.22 16
122.8 9.77 9
122.9 15.78 15
123.0 18.79 18
123.1 16.87 16
123.3 11.14 11
123.4 14.34 14
123.5 18.89 18
123.6 19.68 19
123.7 15.35 15
124.0 9.58 9
124.1 14.15 14
124.2 17.28 17
124.3 17.52 17
125.2 8.93 8
125.3 11.45 11
125.4 17.01 16
125.5 22.71 22
125.6 24.59 24
125.7 20.21 20
125.8 11.91 11
126.0 7.75 7
126.1 14.1 14
126.2 19.3 19
126.3 19.78 19
126.4 16.87 16
126.6 15.16 15
126.7 18.26 18
126.8 20.43 20
126.9 18.84 18
127.0 14.0 13
127.2 8.25 8
127.3 11.5 11
127.4 16.72 16
127.5 19.68 19
127.6 17.2 17
127.7 10.97 10
127.9 9.29 9
128.0 16.19 16
128.1 21.15 21
128.2 19.54 19
128.3 13.26 13
128.5 10.18 10
128.6 16.05 16
128.7 20.16 20
128.8 18.31 18
128.9 12.37 12
129.1 7.87 7
129.2 12.32 12
129.3 17.37 17
129.4 19.59 19
129.5 17.73 17
129.6 13.62 13
130.4 5.61 5
130.5 11.81 11
130.6 19.2 19
130.7 23.1 23
130.8 21.17 21
130.9 15.28 15
131.1 9.96 9
131.2 14.41 14
131.3 19.18 19
131.4 19.2 19
131.5 13.98 13
131.7 9.31 9
131.8 15.28 15
131.9 20.31 20
132.0 19.25 19
132.1 13.64 13
132.3 10.25 10
132.4 15.21 15
132.5 19.73 19
132.6 19.56 19
132.7 14.17 14
132.9 6.02 6
133.0 10.2 10
133.1 16.96 16
133.2 21.22 21
133.3 20.28 20
133.4 15.11 15
133.7 10.06 10
133.8 16.27 16
133.9 20.12 20
134.0 18.21 18
134.1 12.75 12
134.3 10.8 10
134.4 14.41 14
134.5 15.71 15
134.6 13.23 13
134.8 9.05 9
134.9 12.2 12
135.0 16.67 16
135.1 19.06 19
135.2 17.56 17
135.3 13.07 13
135.5 7.77 7
135.6 10.9 10
135.7 15.57 15
135.8 18.09 18
135.9 16.58 16
136.2 11.57 11
136.3 16.19 16
136.4 20.0 19
136.5 20.24 20
136.6 16.84 16
136.9 12.05 12
137.0 16.82 16
137.1 20.09 20
137.2 19.3 19
137.3 15.28 15
137.5 11.45 11
137.6 15.18 15
137.7 19.08 19
137.8 19.37 19
137.9 16.0 15
138.1 13.11 13
138.2 16.67 16
138.3 19.42 19
138.4 17.59 17
138.5 11.86 11
138.7 6.26 6
138.8 9.36 9
138.9 12.95 12
139.0 14.36 14
139.1 13.35 13
139.2 11.91 11
139.3 12.63 12
139.4 15.93 15
139.5 19.3 19
139.6 19.71 19
139.7 17.06 17
139.9 13.69 13
140.0 16.07 16
140.1 19.2 19
140.2 20.12 20
140.3 16.99 16
140.4 11.07 11
140.6 7.87 7
140.7 13.72 13
140.8 19.66 19
140.9 21.54 21
141.0 18.19 18
141.1 12.15 12
141.3 8.73 8
141.4 14.7 14
141.5 21.15 21
141.6 22.59 22
141.7 17.64 17
141.8 10.35 10
142.0 9.7 9
142.1 16.07 16
142.2 20.26 20
142.3 19.47 19
142.4 15.52 15
142.6 13.62 13
142.7 17.11 17
142.8 18.98 18
142.9 16.22 16
143.0 10.32 10
143.2 7.87 7
143.3 13.86 13
143.4 19.39 19
143.5 19.73 19
143.6 14.41 14
143.8 5.17 5
143.9 8.95 8
144.0 15.71 15
144.1 19.68 19
144.2 17.85 17
144.3 12.32 12
144.5 8.06 8
144.6 12.2 12
144.7 16.99 16
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144.9 17.61 17
145.1 15.11 15
145.2 17.3 17
145.3 19.3 19
145.4 18.38 18
145.5 14.12 14
145.8 8.28 8
145.9 12.95 12
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146.1 17.66 17
147.0 6.18 6
147.1 11.0 10
147.2 18.29 18
147.3 22.33 22
147.4 19.32 19
147.5 12.08 12
147.7 9.19 9
147.8 15.42 15
147.9 20.45 20
148.0 20.14 20
148.1 15.35 15
148.3 10.92 10
148.4 15.13 15
148.5 19.1 19
148.6 18.55 18
148.7 13.91 13
148.9 9.38 9
149.0 12.49 12
149.1 15.74 15
149.2 16.84 16
149.3 15.9 15
149.5 13.21 13
149.6 14.85 14
149.7 18.43 18
149.8 20.67 20
149.9 18.5 18
150.0 12.8 12
150.2 7.05 7
150.3 11.5 11
150.4 17.88 17
150.5 22.04 22
150.6 21.63 21
150.7 17.54 17
150.8 12.54 12
151.3 11.86 11
151.4 11.6 11
151.5 13.43 13
151.6 17.49 17
151.7 21.17 21
151.8 21.58 21
151.9 18.14 18
152.0 13.26 13
152.7 10.83 10
152.8 13.74 13
152.9 18.82 18
153.0 22.4 22
153.1 21.27 21
153.2 15.64 15
153.4 7.51 7
153.5 11.19 11
153.6 16.55 16
153.7 18.29 18
153.8 14.73 14
154.7 12.13 12
154.8 15.54 15
154.9 17.71 17
155.0 16.17 16
155.1 11.62 11
155.3 7.41 7
155.4 11.79 11
155.5 18.41 18
155.6 23.27 23
155.7 22.88 22
155.8 17.23 17
156.0 8.83 8
156.1 12.95 12
156.2 18.94 18
156.3 21.01 20
156.4 16.94 16
156.7 10.11 10
156.8 17.56 17
156.9 22.26 22
157.0 20.4 20
157.1 14.39 14
157.3 10.44 10
157.4 15.16 15
157.5 19.92 19
157.6 20.5 20
157.7 15.81 15
157.9 8.76 8
158.0 13.86 13
158.1 20.4 20
158.2 22.64 22
158.3 19.15 19
158.4 13.16 13
158.6 10.06 10
158.7 13.69 13
158.8 16.36 16
158.9 15.64 15
159.0 12.75 12
159.2 10.61 10
159.3 12.3 12
159.4 14.15 14
159.5 14.56 14
159.6 12.54 12
159.8 7.58 7
159.9 11.02 11
160.0 17.97 17
160.1 23.08 23
160.2 22.11 22
160.3 16.27 16
160.5 9.72 9
160.6 13.57 13
160.7 17.9 17
160.8 17.66 17
160.9 12.15 12
161.1 6.16 6
161.2 11.6 11
161.3 17.78 17
161.4 19.83 19
161.5 16.72 16
161.6 11.12 11
161.8 9.14 9
161.9 15.78 15
162.0 21.85 21
162.1 21.87 21
162.2 16.0 15
162.4 8.76 8
162.5 13.11 13
162.6 18.14 18
162.7 18.86 18
163.0 13.52 13
163.1 18.6 18
163.2 22.62 22
163.3 21.97 21
163.4 17.08 17
163.5 11.38 11
163.7 8.01 8
163.8 10.59 10
163.9 13.86 13
164.0 15.83 15
164.1 15.26 15
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//
