MassBank Record: MSBNK-RIKEN_NPDepo-NGA00012
ACCESSION: MSBNK-RIKEN_NPDepo-NGA00012
RECORD_TITLE: Linichlorin A; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Sesquiterpenoids
CH$NAME: Linichlorin A
CH$COMPOUND_CLASS: Terpenoids
CH$FORMULA: C19H23ClO6
CH$EXACT_MASS: 382.8446
CH$SMILES: C=C(C)C(=O)O[C@H]1CC(=C)C2C[C@@H](O)[C@@](O)(CCl)C2[C@H]2OC(=O)C(=C)C12
CH$IUPAC: InChI=1S/C19H23ClO6/c1-8(2)17(22)25-12-5-9(3)11-6-13(21)19(24,7-20)15(11)16-14(12)10(4)18(23)26-16/h11-16,21,24H,1,3-7H2,2H3/t11?,12-,13+,14?,15?,16-,19-/m0/s1
CH$LINK: CAS
62462-98-0
CH$LINK: CHEMSPIDER
158587
CH$LINK: INCHIKEY
ONMAQPPVCANFPB-WZKNLRRUSA-N
AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-016r-0910000000-868a26e711c8b0e7c486
PK$NUM_PEAK: 481
PK$PEAK: m/z int. rel.int.
68.2 1.11 1
68.3 2.57 2
68.4 4.96 4
68.5 6.88 6
68.6 8.25 8
68.7 11.98 11
68.8 20.08 20
68.9 30.6 30
69.0 38.99 38
69.1 41.41 41
69.2 35.93 35
69.3 23.86 23
69.4 10.61 10
69.5 2.12 2
76.6 1.37 1
76.7 4.15 4
76.8 9.0 8
76.9 13.44 13
77.0 15.41 15
77.1 14.97 14
77.2 12.88 12
77.3 9.31 9
77.4 4.94 4
90.6 2.42 2
90.7 4.15 4
90.8 7.64 7
90.9 12.12 12
91.0 15.67 15
91.1 16.02 16
91.2 12.73 12
91.3 7.87 7
91.4 4.13 4
92.5 1.03 1
92.6 5.34 5
92.7 13.25 13
92.8 20.04 20
92.9 20.69 20
93.0 15.64 15
93.1 9.96 9
93.2 6.98 6
93.3 5.7 5
93.4 4.13 4
102.8 2.12 2
102.9 3.47 3
103.0 4.88 4
103.1 5.55 5
103.2 4.77 4
103.3 2.9 2
104.5 1.13 1
104.6 2.6 2
104.7 5.82 5
104.8 10.25 10
104.9 13.83 13
105.0 14.52 14
105.1 12.29 12
105.2 9.04 9
105.3 6.47 6
105.4 4.77 4
105.5 3.24 3
116.6 3.68 3
116.7 6.68 6
116.8 10.43 10
116.9 12.46 12
117.0 12.22 12
117.1 11.36 11
117.2 10.6 10
117.3 8.81 8
117.4 5.55 5
117.5 2.35 2
118.5 3.7 3
118.6 5.12 5
118.7 8.56 8
118.8 12.98 12
118.9 15.96 15
119.0 16.22 16
119.1 14.99 14
119.2 13.96 13
119.3 12.63 12
119.4 9.43 9
119.5 4.79 4
121.0 2.21 2
121.1 3.87 3
121.2 5.55 5
121.3 5.91 5
121.4 4.47 4
127.8 2.79 2
127.9 4.62 4
128.0 6.35 6
128.1 6.47 6
128.2 4.92 4
128.5 2.38 2
128.6 3.96 3
128.7 7.73 7
128.8 12.68 12
128.9 16.68 16
129.0 19.26 19
129.1 21.62 21
129.2 23.62 23
129.3 23.0 22
129.4 18.25 18
129.5 10.89 10
129.6 4.54 4
130.6 0.92 0
130.7 6.11 6
130.8 15.61 15
130.9 24.57 24
131.0 28.26 28
131.1 26.59 26
131.2 22.33 22
131.3 17.02 17
131.4 10.94 10
131.5 5.29 5
140.4 2.05 2
140.5 3.48 3
140.6 7.97 7
140.7 16.44 16
140.8 26.77 26
140.9 34.98 34
141.0 38.75 38
141.1 38.96 38
141.2 37.04 37
141.3 32.09 32
141.4 22.71 22
141.5 11.15 11
141.8 4.76 4
141.9 8.13 8
142.0 10.27 10
142.1 10.55 10
142.2 9.56 9
142.3 7.52 7
142.6 5.11 5
142.7 12.43 12
142.8 23.22 23
142.9 33.57 33
143.0 41.27 41
143.1 46.13 46
143.2 46.54 46
143.3 39.46 39
143.4 25.37 25
143.5 10.83 10
143.6 1.81 1
144.6 4.32 4
144.7 4.77 4
144.8 7.12 7
144.9 13.06 13
145.0 20.78 20
145.1 26.06 26
145.2 26.0 25
145.3 20.56 20
145.4 12.09 12
145.5 4.31 4
146.4 1.17 1
146.5 2.89 2
146.6 5.27 5
146.7 7.42 7
146.8 9.02 9
146.9 10.31 10
147.0 11.39 11
147.1 11.66 11
147.2 10.28 10
147.3 7.25 7
147.4 3.79 3
152.5 2.27 2
152.6 3.57 3
152.7 6.15 6
152.8 9.42 9
152.9 11.47 11
153.0 11.6 11
153.1 12.17 12
153.2 14.97 14
153.3 17.01 16
153.4 13.79 13
153.7 7.45 7
153.8 16.82 16
153.9 23.19 23
154.0 23.03 23
154.1 19.16 19
154.2 15.5 15
154.3 12.78 12
154.6 5.24 5
154.7 10.21 10
154.8 24.27 24
154.9 40.08 40
155.0 49.63 49
155.1 50.99 50
155.2 47.24 47
155.3 39.79 39
155.4 28.19 28
155.5 15.01 14
155.6 5.53 5
156.6 8.44 8
156.7 11.33 11
156.8 15.33 15
156.9 18.99 18
157.0 23.4 23
157.1 30.7 30
157.2 38.48 38
157.3 39.52 39
157.4 30.29 30
157.5 16.36 16
157.6 6.47 6
158.5 3.93 3
158.6 6.79 6
158.7 11.68 11
158.8 16.96 16
158.9 21.28 21
159.0 26.05 26
159.1 32.16 32
159.2 35.78 35
159.3 32.02 31
159.4 21.72 21
159.5 10.68 10
159.6 3.72 3
164.5 2.71 2
164.6 4.1 4
164.7 6.39 6
164.8 10.97 10
164.9 18.11 18
165.0 25.68 25
165.1 29.92 29
165.2 27.78 27
165.3 19.75 19
165.4 10.48 10
165.7 9.1 9
165.8 12.5 12
165.9 15.0 14
166.0 16.65 16
166.1 17.32 17
166.2 16.93 16
166.3 15.57 15
166.4 12.95 12
166.5 8.58 8
166.7 2.13 2
166.8 6.77 6
166.9 15.59 15
167.0 22.73 22
167.1 23.99 23
167.2 19.75 19
167.3 13.07 13
167.4 7.12 7
168.5 7.58 7
168.6 10.82 10
168.7 20.82 20
168.8 41.36 41
168.9 68.1 68
169.0 90.22 90
169.1 100.0 99
169.2 97.03 96
169.3 83.33 83
169.4 60.12 60
169.5 32.13 32
169.6 8.87 8
169.7 0.07 0
169.9 0.82 0
170.0 2.96 2
170.1 3.98 3
170.2 4.08 4
170.3 4.2 4
170.4 4.45 4
170.5 4.55 4
170.6 4.64 4
170.7 6.04 6
170.8 9.37 9
170.9 13.13 13
171.0 15.7 15
171.1 17.45 17
171.2 19.5 19
171.3 20.44 20
171.4 17.09 17
171.5 9.6 9
171.6 2.49 2
172.6 1.91 1
172.7 4.13 4
172.8 8.57 8
172.9 12.44 12
173.0 12.89 12
173.1 10.29 10
173.2 7.2 7
173.3 4.99 4
173.4 3.24 3
174.9 2.75 2
175.0 4.95 4
175.1 7.28 7
175.2 8.74 8
175.3 8.64 8
175.4 6.7 6
175.5 3.7 3
178.1 2.17 2
178.2 3.89 3
178.3 5.97 5
178.4 9.18 9
178.5 15.0 14
178.6 23.72 23
178.7 34.63 34
178.8 48.47 48
178.9 66.27 66
179.0 84.36 84
179.1 94.35 94
179.2 90.19 90
179.3 72.96 72
179.4 48.85 48
179.5 25.5 25
179.6 9.93 9
179.7 3.66 3
180.6 3.07 3
180.7 8.83 8
180.8 15.68 15
180.9 19.72 19
181.0 21.43 21
181.1 24.11 24
181.2 28.1 28
181.3 29.17 29
181.4 23.69 23
181.5 13.74 13
181.6 5.56 5
182.0 5.2 5
182.1 6.31 6
182.2 9.75 9
182.3 12.64 12
182.4 11.6 11
182.7 6.91 6
182.8 14.14 14
182.9 22.03 22
183.0 26.43 26
183.1 26.38 26
183.2 23.61 23
183.3 19.22 19
183.4 13.17 13
183.6 6.52 6
183.7 12.93 12
183.8 22.29 22
183.9 28.48 28
184.0 30.59 30
184.1 31.38 31
184.2 30.82 30
184.3 26.15 26
184.4 18.3 18
184.6 15.26 15
184.7 20.19 20
184.8 22.37 22
184.9 22.23 22
185.0 25.2 25
185.1 33.55 33
185.2 42.62 42
185.3 44.42 44
185.4 34.68 34
185.5 17.68 17
185.6 3.34 3
186.8 3.33 3
186.9 5.93 5
187.0 10.83 10
187.1 16.33 16
187.2 18.56 18
187.3 15.34 15
187.4 8.88 8
187.5 3.38 3
188.4 1.47 1
188.5 2.83 2
188.6 8.74 8
188.7 21.42 21
188.8 36.59 36
188.9 45.89 45
189.0 45.93 45
189.1 43.61 43
189.2 46.43 46
189.3 49.96 49
189.4 43.01 42
189.5 24.57 24
189.6 6.3 6
189.7 0.07 0
190.7 1.41 1
190.8 3.5 3
190.9 5.8 5
191.0 6.73 6
191.1 5.75 5
191.2 3.78 3
196.4 3.7 3
196.5 4.42 4
196.6 7.6 7
196.7 17.27 17
196.8 35.66 35
196.9 59.21 59
197.0 77.13 77
197.1 80.23 80
197.2 69.99 69
197.3 54.25 54
197.4 37.13 37
197.5 19.6 19
197.6 5.4 5
200.7 1.12 1
200.8 3.49 3
200.9 7.5 7
201.0 10.98 10
201.1 11.03 11
201.2 7.31 7
201.3 2.7 2
202.6 1.32 1
202.7 3.56 3
202.8 6.64 6
202.9 8.4 8
203.0 7.35 7
203.1 4.54 4
204.6 2.93 2
204.7 4.46 4
204.8 6.21 6
204.9 8.3 8
205.0 10.34 10
205.1 11.35 11
205.2 10.52 10
205.3 7.91 7
205.4 4.53 4
206.3 4.51 4
206.4 5.65 5
206.5 7.27 7
206.6 11.14 11
206.7 20.36 20
206.8 34.76 34
206.9 47.25 47
207.0 49.42 49
207.1 41.15 41
207.2 30.11 30
207.3 21.67 21
207.4 14.84 14
207.5 7.94 7
207.6 2.82 2
214.3 1.51 1
214.4 3.54 3
214.5 7.04 7
214.6 12.18 12
214.7 18.36 18
214.8 24.35 24
214.9 29.24 29
215.0 33.03 32
215.1 35.38 35
215.2 34.23 34
215.3 27.32 27
215.4 15.89 15
215.5 5.24 5
224.6 0.89 0
224.7 4.09 4
224.8 10.19 10
224.9 17.1 17
225.0 22.6 22
225.1 26.38 26
225.2 27.74 27
225.3 24.03 24
225.4 14.77 14
225.5 4.77 4
232.4 2.49 2
232.5 4.51 4
232.6 7.66 7
232.7 13.88 13
232.8 25.16 25
232.9 38.74 38
233.0 47.86 47
233.1 48.31 48
233.2 41.83 41
233.3 31.92 31
233.4 20.4 20
233.5 9.3 9
233.6 2.01 2
242.6 2.68 2
242.7 3.98 3
242.8 5.75 5
242.9 7.95 7
243.0 9.83 9
243.1 10.38 10
243.2 9.27 9
243.3 6.99 6
243.4 4.36 4
260.8 3.54 3
260.9 4.79 4
261.0 6.3 6
261.1 7.23 7
261.2 6.65 6
261.3 4.81 4
278.9 2.08 2
279.0 4.19 4
279.1 6.4 6
279.2 6.71 6
279.3 4.66 4
//
