MassBank Record: MSBNK-RIKEN_NPDepo-NGA00011
ACCESSION: MSBNK-RIKEN_NPDepo-NGA00011
RECORD_TITLE: Linichlorin A; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [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$SPLASH: splash10-0019-0960000000-36ce3fffc4d10ca7a08c
PK$NUM_PEAK: 472
PK$PEAK: m/z int. rel.int.
68.1 2.27 2
68.2 4.5 4
68.3 6.37 6
68.4 6.97 6
68.5 7.01 7
68.6 8.57 8
68.7 13.68 13
68.8 22.86 22
68.9 33.34 33
69.0 40.36 40
69.1 41.49 41
69.2 38.01 37
69.3 31.18 31
69.4 20.88 20
69.5 9.2 9
69.6 1.3 1
76.6 2.11 2
76.7 4.22 4
76.8 6.48 6
76.9 7.39 7
77.0 6.58 6
77.1 5.13 5
77.2 3.93 3
90.7 2.61 2
90.8 4.73 4
90.9 6.48 6
91.0 7.26 7
91.1 7.35 7
91.2 6.67 6
91.3 4.88 4
92.6 1.87 1
92.7 3.5 3
92.8 5.43 5
92.9 6.55 6
93.0 6.3 6
93.1 5.41 5
93.2 4.93 4
93.3 4.73 4
93.4 3.95 3
118.6 2.13 2
118.7 3.86 3
118.8 6.51 6
118.9 9.42 9
119.0 10.94 10
119.1 9.63 9
119.2 6.37 6
119.3 3.65 3
120.7 2.08 2
120.8 4.37 4
120.9 6.71 6
121.0 7.46 7
121.1 6.08 6
121.2 3.8 3
128.6 0.84 0
128.7 1.82 1
128.8 6.09 6
128.9 11.91 11
129.0 16.08 16
129.1 17.06 17
129.2 15.47 15
129.3 11.92 11
129.4 7.0 6
129.5 2.49 2
140.5 3.29 3
140.6 6.05 6
140.7 12.37 12
140.8 19.81 19
140.9 24.73 24
141.0 25.37 25
141.1 22.44 22
141.2 17.31 17
141.3 11.12 11
141.4 5.23 5
142.7 5.84 5
142.8 7.89 7
142.9 11.86 11
143.0 15.95 15
143.1 17.8 17
143.2 16.3 16
143.3 12.06 12
143.4 6.78 6
143.5 2.51 2
144.7 2.99 2
144.8 4.56 4
144.9 7.27 7
145.0 11.07 11
145.1 13.85 13
145.2 13.54 13
145.3 10.55 10
145.4 6.92 6
145.5 4.0 3
146.4 1.03 1
146.5 3.53 3
146.6 7.24 7
146.7 9.69 9
146.8 9.99 9
146.9 10.38 10
147.0 13.14 13
147.1 17.05 17
147.2 18.47 18
147.3 15.48 15
147.4 9.55 9
147.5 3.86 3
154.5 1.46 1
154.6 7.01 7
154.7 16.9 16
154.8 29.97 29
154.9 42.4 42
155.0 47.73 47
155.1 41.76 41
155.2 27.82 27
155.3 14.05 14
155.4 5.59 5
155.5 2.34 2
156.5 1.95 1
156.6 3.82 3
156.7 8.23 8
156.8 16.83 16
156.9 27.52 27
157.0 34.57 34
157.1 34.14 34
157.2 28.71 28
157.3 22.96 22
157.4 17.6 17
157.5 10.88 10
157.6 4.07 4
158.5 0.89 0
158.6 2.83 2
158.7 7.25 7
158.8 13.7 13
158.9 20.77 20
159.0 26.31 26
159.1 27.73 27
159.2 23.59 23
159.3 15.35 15
159.4 6.89 6
159.5 1.62 1
164.2 1.86 1
164.3 3.53 3
164.4 4.96 4
164.5 5.13 5
164.6 4.48 4
164.7 4.92 4
164.8 8.9 8
164.9 15.44 15
165.0 20.15 20
165.1 19.85 19
165.2 15.72 15
165.3 11.14 11
165.4 8.0 7
166.6 3.41 3
166.7 8.18 8
166.8 12.1 12
166.9 12.25 12
167.0 9.83 9
167.1 9.14 9
167.2 11.86 11
167.3 14.19 14
167.4 11.83 11
167.5 5.87 5
168.2 2.02 2
168.3 4.55 4
168.4 8.2 8
168.5 11.28 11
168.6 13.34 13
168.7 17.16 17
168.8 27.32 27
168.9 43.54 43
169.0 57.71 57
169.1 62.28 62
169.2 59.16 59
169.3 54.16 54
169.4 46.54 46
169.5 32.23 32
169.6 14.29 14
169.7 2.23 2
170.5 1.18 1
170.6 2.58 2
170.7 6.24 6
170.8 12.01 11
170.9 18.39 18
171.0 22.39 22
171.1 21.37 21
171.2 15.81 15
171.3 9.37 9
171.4 5.24 5
171.5 3.41 3
172.5 1.91 1
172.6 4.08 4
172.7 5.92 5
172.8 6.42 6
172.9 6.09 6
173.0 6.47 6
173.1 8.05 8
173.2 9.29 9
173.3 8.24 8
173.4 5.0 4
174.7 1.88 1
174.8 4.59 4
174.9 8.34 8
175.0 10.79 10
175.1 10.11 10
175.2 7.22 7
175.3 4.54 4
178.5 2.5 2
178.6 4.48 4
178.7 11.16 11
178.8 22.39 22
178.9 35.29 35
179.0 45.05 45
179.1 47.49 47
179.2 41.37 41
179.3 29.18 29
179.4 15.75 15
179.5 5.51 5
180.6 2.59 2
180.7 6.05 6
180.8 10.76 10
180.9 14.57 14
181.0 16.88 16
181.1 18.55 18
181.2 18.89 18
181.3 15.95 15
181.4 9.96 9
181.5 4.08 4
182.4 1.15 1
182.5 2.62 2
182.6 8.0 7
182.7 18.41 18
182.8 31.16 31
182.9 41.23 41
183.0 46.27 46
183.1 47.87 47
183.2 46.83 46
183.3 40.27 40
183.4 26.49 26
183.5 10.39 10
183.7 2.1 2
183.8 9.89 9
183.9 21.29 21
184.0 29.83 29
184.1 32.29 32
184.2 29.19 29
184.3 23.04 23
184.4 15.65 15
184.6 7.29 7
184.7 13.13 13
184.8 23.19 23
184.9 31.81 31
185.0 38.2 38
185.1 44.23 44
185.2 46.86 46
185.3 40.31 40
185.4 25.38 25
185.5 10.2 10
185.6 2.4 2
186.5 0.95 0
186.6 3.48 3
186.7 7.36 7
186.8 10.91 10
186.9 14.26 14
187.0 19.96 19
187.1 28.45 28
187.2 34.58 34
187.3 31.97 31
187.4 20.62 20
187.5 7.67 7
187.6 0.63 0
188.4 3.56 3
188.5 5.47 5
188.6 9.9 9
188.7 19.78 19
188.8 39.83 39
188.9 68.79 68
189.0 93.82 93
189.1 99.94 99
189.2 85.48 85
189.3 61.46 61
189.4 37.73 37
189.5 17.66 17
189.6 3.8 3
190.5 2.27 2
190.6 4.13 4
190.7 5.68 5
190.8 6.55 6
190.9 7.41 7
191.0 8.63 8
191.1 9.23 9
191.2 7.88 7
191.3 4.87 4
194.8 2.35 2
194.9 4.71 4
195.0 6.65 6
195.1 7.37 7
195.2 7.0 6
195.3 5.73 5
195.4 3.71 3
196.3 1.84 1
196.4 3.27 3
196.5 5.63 5
196.6 10.96 10
196.7 20.5 20
196.8 33.82 33
196.9 49.63 49
197.0 65.61 65
197.1 77.21 77
197.2 77.99 77
197.3 64.31 64
197.4 40.38 40
197.5 16.74 16
197.6 2.77 2
200.7 2.07 2
200.8 3.53 3
200.9 5.58 5
201.0 7.72 7
201.1 9.01 9
201.2 8.52 8
201.3 6.15 6
201.4 3.07 3
202.6 1.41 1
202.7 4.02 4
202.8 7.76 7
202.9 10.44 10
203.0 9.88 9
203.1 6.31 6
203.2 2.37 2
204.6 0.73 0
204.7 4.04 4
204.8 11.67 11
204.9 20.9 20
205.0 27.54 27
205.1 28.28 28
205.2 22.55 22
205.3 13.08 13
205.4 4.54 4
206.4 2.87 2
206.5 4.38 4
206.6 7.51 7
206.7 13.76 13
206.8 24.05 24
206.9 37.61 37
207.0 51.2 51
207.1 59.53 59
207.2 57.56 57
207.3 44.3 44
207.4 25.56 25
207.5 9.2 9
207.6 0.42 0
214.2 0.59 0
214.3 2.07 2
214.4 5.28 5
214.5 9.88 9
214.6 15.43 15
214.7 21.77 21
214.8 28.3 28
214.9 33.91 33
215.0 38.52 38
215.1 43.05 43
215.2 45.99 45
215.3 42.57 42
215.4 30.29 30
215.5 14.04 14
215.6 2.23 2
216.7 1.97 1
216.8 4.64 4
216.9 7.66 7
217.0 8.82 8
217.1 7.13 7
217.2 4.0 3
218.6 2.21 2
218.7 3.95 3
218.8 5.38 5
218.9 5.67 5
219.0 5.18 5
219.1 4.82 4
219.2 4.57 4
219.3 3.66 3
224.4 2.35 2
224.5 4.25 4
224.6 7.12 7
224.7 11.04 11
224.8 16.79 16
224.9 25.33 25
225.0 36.12 36
225.1 45.53 45
225.2 47.59 47
225.3 38.83 38
225.4 22.81 22
225.5 8.01 8
225.6 0.92 0
232.3 2.72 2
232.4 4.18 4
232.5 8.0 7
232.6 14.01 13
232.7 23.79 23
232.8 41.05 41
232.9 65.27 65
233.0 87.22 87
233.1 95.3 95
233.2 86.45 86
233.3 67.1 67
233.4 44.87 44
233.5 23.92 23
233.6 8.56 8
233.7 0.52 0
234.5 4.2 4
234.6 6.77 6
234.7 10.12 10
234.8 11.54 11
234.9 10.13 10
242.2 0.97 0
242.3 3.04 3
242.4 5.73 5
242.5 8.17 8
242.6 11.8 11
242.7 18.61 18
242.8 26.74 26
242.9 31.02 30
243.0 29.73 29
243.1 27.41 27
243.2 27.93 27
243.3 28.14 28
243.4 22.46 22
243.5 11.62 11
243.6 2.24 2
250.4 1.02 1
250.5 2.63 2
250.6 6.73 6
250.7 12.95 12
250.8 18.46 18
250.9 19.51 19
251.0 15.33 15
251.1 9.69 9
260.3 0.81 0
260.4 2.25 2
260.5 6.34 6
260.6 12.98 12
260.7 21.34 21
260.8 31.38 31
260.9 43.28 43
261.0 55.36 55
261.1 63.43 63
261.2 62.0 61
261.3 48.13 48
261.4 26.23 26
261.5 6.89 6
261.6 0.13 0
278.4 3.05 3
278.5 4.58 4
278.6 7.77 7
278.7 17.38 17
278.8 32.81 32
278.9 50.42 50
279.0 64.64 64
279.1 70.06 69
279.2 63.25 63
279.3 45.6 45
279.4 24.14 24
279.5 7.34 7
279.6 1.0 0
296.5 1.46 1
296.6 4.18 4
296.7 7.25 7
296.8 9.08 9
296.9 9.61 9
297.0 10.24 10
297.1 12.04 12
297.2 14.65 14
297.3 16.21 16
297.4 14.58 14
297.5 9.68 9
297.6 4.15 4
//
system version 2.2.8-SNAPSHOT
