MassBank Record: MSBNK-RIKEN_NPDepo-NGA01730
ACCESSION: MSBNK-RIKEN_NPDepo-NGA01730
RECORD_TITLE: Artemisinin; 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$NAME: Artemisinin
CH$COMPOUND_CLASS: Terpenoids
CH$FORMULA: C15H22O5
CH$EXACT_MASS: 282.3396
CH$SMILES: C[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CCC1[C@@]24OO3
CH$IUPAC: InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11?,13-,14-,15-/m1/s1
CH$LINK: CAS
63968-64-9
CH$LINK: CHEMSPIDER
62060
CH$LINK: INCHIKEY
BLUAFEHZUWYNDE-JNZKJBQJSA-N
CH$LINK: PUBCHEM
CID:49796325
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: splash10-00di-1920000000-6222abc53adc2828d8e7
PK$NUM_PEAK: 644
PK$PEAK: m/z int. rel.int.
54.7 1.34 1
54.8 3.39 3
54.9 6.19 6
55.0 8.01 8
55.1 7.79 7
55.2 6.11 6
55.3 4.08 4
55.4 2.29 2
66.7 1.61 1
66.8 2.99 2
66.9 5.06 5
67.0 7.18 7
67.1 7.96 7
67.2 6.59 6
67.3 3.87 3
68.5 2.31 2
68.6 3.64 3
68.7 4.91 4
68.8 6.49 6
68.9 8.52 8
69.0 10.03 10
69.1 9.56 9
69.2 6.9 6
69.3 3.51 3
70.5 1.68 1
70.6 2.94 2
70.7 5.79 5
70.8 9.9 9
70.9 13.11 13
71.0 13.45 13
71.1 11.31 11
71.2 8.4 8
71.3 5.53 5
71.4 2.82 2
80.6 2.3 2
80.7 4.31 4
80.8 6.87 6
80.9 9.25 9
81.0 10.79 10
81.1 11.65 11
81.2 12.42 12
81.3 12.6 12
81.4 10.66 10
81.5 6.44 6
81.6 2.13 2
82.7 1.43 1
82.8 3.52 3
82.9 5.81 5
83.0 6.77 6
83.1 5.91 5
83.2 4.19 4
83.3 2.65 2
84.3 1.17 1
84.4 2.85 2
84.5 4.76 4
84.6 5.96 5
84.7 6.11 6
84.8 6.3 6
84.9 7.97 7
85.0 11.15 11
85.1 14.0 13
85.2 14.41 14
85.3 11.74 11
85.4 7.19 7
85.5 2.88 2
92.5 2.49 2
92.6 4.36 4
92.7 7.85 7
92.8 12.34 12
92.9 16.14 16
93.0 17.92 17
93.1 17.78 17
93.2 16.54 16
93.3 14.13 14
93.4 9.97 9
93.5 4.82 4
93.6 0.9 0
94.3 1.25 1
94.4 2.86 2
94.5 5.77 5
94.6 10.34 10
94.7 16.3 16
94.8 22.75 22
94.9 28.35 28
95.0 32.27 32
95.1 34.22 34
95.2 33.37 33
95.3 28.24 28
95.4 18.88 18
95.5 8.56 8
95.6 1.46 1
96.6 1.95 1
96.7 3.05 3
96.8 5.29 5
96.9 8.45 8
97.0 11.37 11
97.1 12.61 12
97.2 11.42 11
97.3 8.15 8
97.4 4.17 4
98.6 2.02 2
98.7 3.52 3
98.8 5.45 5
98.9 7.04 7
99.0 7.45 7
99.1 6.65 6
99.2 5.38 5
99.3 4.07 4
99.4 2.63 2
104.4 1.01 1
104.5 1.82 1
104.6 4.94 4
104.7 11.2 11
104.8 18.87 18
104.9 24.12 24
105.0 24.61 24
105.1 21.7 21
105.2 18.26 18
105.3 15.27 15
105.4 11.57 11
105.5 6.7 6
105.6 2.24 2
106.4 0.81 0
106.5 2.45 2
106.6 5.48 5
106.7 10.65 10
106.8 17.37 17
106.9 22.97 22
107.0 25.08 25
107.1 24.04 24
107.2 21.39 21
107.3 17.3 17
107.4 11.38 11
107.5 5.09 5
107.6 1.0 0
108.5 1.16 1
108.6 2.31 2
108.7 4.47 4
108.8 7.66 7
108.9 11.04 11
109.0 13.46 13
109.1 14.62 14
109.2 14.6 14
109.3 12.84 12
109.4 8.99 8
109.5 4.33 4
110.5 1.37 1
110.6 3.0 2
110.7 5.0 4
110.8 6.76 6
110.9 7.71 7
111.0 7.78 7
111.1 7.47 7
111.2 7.06 7
111.3 6.11 6
111.4 4.22 4
111.5 2.02 2
112.5 1.4 1
112.6 3.69 3
112.7 7.0 6
112.8 9.75 9
112.9 10.68 10
113.0 10.04 10
113.1 8.75 8
113.2 7.11 7
113.3 5.02 5
113.4 2.78 2
118.3 1.68 1
118.4 3.14 3
118.5 5.19 5
118.6 8.3 8
118.7 13.46 13
118.8 20.67 20
118.9 27.64 27
119.0 31.26 31
119.1 30.54 30
119.2 26.75 26
119.3 21.08 21
119.4 13.83 13
119.5 6.26 6
119.6 0.89 0
120.4 3.14 3
120.5 4.04 4
120.6 6.36 6
120.7 11.29 11
120.8 18.81 18
120.9 27.28 27
121.0 34.3 34
121.1 37.76 37
121.2 36.1 36
121.3 28.88 28
121.4 18.0 17
121.5 7.47 7
121.6 1.1 1
122.3 1.26 1
122.4 2.66 2
122.5 6.92 6
122.6 12.88 12
122.7 18.72 18
122.8 23.35 23
122.9 27.51 27
123.0 32.31 32
123.1 37.37 37
123.2 40.07 40
123.3 36.58 36
123.4 25.76 25
123.5 12.01 11
123.6 2.24 2
124.6 1.95 1
124.7 3.66 3
124.8 7.06 7
124.9 11.09 11
125.0 13.94 13
125.1 14.67 14
125.2 13.59 13
125.3 11.02 11
125.4 7.13 7
125.5 3.07 3
130.4 0.84 0
130.5 1.95 1
130.6 4.55 4
130.7 9.34 9
130.8 16.35 16
130.9 24.12 24
131.0 30.19 30
131.1 32.71 32
131.2 31.21 31
131.3 26.0 25
131.4 17.92 17
131.5 9.08 9
131.6 2.64 2
132.3 1.11 1
132.4 2.58 2
132.5 4.24 4
132.6 6.42 6
132.7 10.3 10
132.8 16.55 16
132.9 24.14 24
133.0 30.89 30
133.1 34.45 34
133.2 33.11 33
133.3 26.74 26
133.4 17.4 17
133.5 8.43 8
133.6 2.41 2
134.4 1.85 1
134.5 2.89 2
134.6 4.26 4
134.7 6.22 6
134.8 8.67 8
134.9 11.36 11
135.0 14.21 14
135.1 16.99 16
135.2 18.81 18
135.3 18.14 18
135.4 14.1 14
135.5 7.83 7
135.6 2.27 2
136.8 2.95 2
136.9 5.08 5
137.0 7.77 7
137.1 9.11 9
137.2 8.09 8
137.3 5.59 5
137.4 3.1 3
138.5 0.76 0
138.6 2.27 2
138.7 4.76 4
138.8 7.06 7
138.9 8.97 8
139.0 11.47 11
139.1 14.63 14
139.2 16.37 16
139.3 14.59 14
139.4 9.81 9
139.5 4.6 4
139.6 1.13 1
140.7 1.85 1
140.8 3.78 3
140.9 6.63 6
141.0 8.91 8
141.1 8.9 8
141.2 6.52 6
141.3 3.49 3
142.5 1.53 1
142.6 2.86 2
142.7 5.02 5
142.8 8.17 8
142.9 12.07 12
143.0 15.49 15
143.1 16.92 16
143.2 15.75 15
143.3 12.35 12
143.4 7.73 7
143.5 3.52 3
144.4 3.61 3
144.5 6.29 6
144.6 9.3 9
144.7 14.0 13
144.8 23.45 23
144.9 37.35 37
145.0 50.27 50
145.1 56.47 56
145.2 54.78 54
145.3 47.1 47
145.4 34.88 34
145.5 19.91 19
145.6 6.59 6
145.7 0.27 0
146.6 2.55 2
146.7 4.71 4
146.8 8.03 8
146.9 11.5 11
147.0 14.06 14
147.1 15.18 15
147.2 14.57 14
147.3 11.99 11
147.4 7.86 7
147.5 3.73 3
148.4 4.4 4
148.5 5.79 5
148.6 8.8 8
148.7 14.38 14
148.8 21.97 21
148.9 29.21 29
149.0 34.56 34
149.1 38.9 38
149.2 41.92 41
149.3 39.33 39
149.4 27.92 27
149.5 12.19 12
149.6 1.09 1
150.4 1.62 1
150.5 4.5 4
150.6 9.57 9
150.7 17.22 17
150.8 28.2 28
150.9 41.43 41
151.0 53.01 52
151.1 58.76 58
151.2 57.31 57
151.3 49.79 49
151.4 37.72 37
151.5 23.14 23
151.6 9.74 9
151.7 2.1 2
156.7 2.78 2
156.8 4.02 4
156.9 6.51 6
157.0 10.13 10
157.1 13.01 12
157.2 12.88 12
157.3 9.47 9
157.4 4.98 4
158.4 5.96 5
158.5 7.85 7
158.6 11.46 11
158.7 17.8 17
158.8 27.4 27
158.9 39.38 39
159.0 50.53 50
159.1 56.24 56
159.2 53.68 53
159.3 43.92 43
159.4 30.46 30
159.5 16.91 16
159.6 6.45 6
159.7 1.38 1
160.3 1.01 1
160.4 3.79 3
160.5 7.28 7
160.6 10.89 10
160.7 16.43 16
160.8 25.57 25
160.9 36.07 36
161.0 42.97 42
161.1 44.26 44
161.2 41.5 41
161.3 35.07 35
161.4 23.95 23
161.5 10.69 10
161.6 1.13 1
162.4 1.26 1
162.5 3.9 3
162.6 6.97 6
162.7 10.05 10
162.8 14.51 14
162.9 21.56 21
163.0 29.5 29
163.1 35.17 35
163.2 37.52 37
163.3 37.01 36
163.4 32.53 32
163.5 22.75 22
163.6 10.46 10
163.7 1.76 1
164.6 1.37 1
164.7 2.69 2
164.8 4.09 4
164.9 5.17 5
165.0 5.73 5
165.1 6.02 6
165.2 6.38 6
165.3 6.38 6
165.4 5.16 5
165.5 2.81 2
170.6 1.01 1
170.7 2.92 2
170.8 6.82 6
170.9 11.05 11
171.0 13.42 13
171.1 13.32 13
171.2 11.61 11
171.3 8.89 8
171.4 5.39 5
171.5 2.07 2
172.1 1.92 1
172.2 3.28 3
172.3 5.46 5
172.4 8.66 8
172.5 12.89 12
172.6 18.32 18
172.7 27.18 27
172.8 42.87 42
172.9 65.11 65
173.0 87.11 87
173.1 100.0 99
173.2 99.69 99
173.3 87.56 87
173.4 66.32 66
173.5 39.57 39
173.6 14.59 14
173.7 0.82 0
174.6 3.33 3
174.7 4.53 4
174.8 6.45 6
174.9 7.91 7
175.0 8.17 8
175.1 7.9 7
175.2 7.83 7
175.3 7.33 7
175.4 5.46 5
175.5 2.73 2
176.3 1.9 1
176.4 3.64 3
176.5 6.51 6
176.6 11.44 11
176.7 18.49 18
176.8 25.74 25
176.9 30.66 30
177.0 33.3 33
177.1 36.27 36
177.2 40.29 40
177.3 41.15 41
177.4 34.0 33
177.5 20.08 20
177.6 6.53 6
177.7 0.0 0
178.6 3.04 3
178.7 3.9 3
178.8 5.8 5
178.9 9.73 9
179.0 14.71 14
179.1 18.06 18
179.2 17.85 17
179.3 14.17 14
179.4 8.59 8
179.5 3.29 3
180.6 1.36 1
180.7 3.96 3
180.8 7.67 7
180.9 10.62 10
181.0 11.54 11
181.1 10.98 10
181.2 10.02 10
181.3 8.67 8
181.4 6.38 6
181.5 3.46 3
182.6 1.99 1
182.7 3.45 3
182.8 6.78 6
182.9 10.78 10
183.0 12.74 12
183.1 11.85 11
183.2 9.95 9
183.3 8.39 8
183.4 6.5 6
183.5 3.71 3
186.6 2.79 2
186.7 4.08 4
186.8 7.17 7
186.9 11.47 11
187.0 15.32 15
187.1 17.67 17
187.2 18.28 18
187.3 16.42 16
187.4 11.57 11
187.5 5.37 5
187.6 1.09 1
188.5 2.93 2
188.6 4.77 4
188.7 8.29 8
188.8 13.26 13
188.9 17.94 17
189.0 20.57 20
189.1 21.36 21
189.2 21.25 21
189.3 19.34 19
189.4 14.18 14
189.5 7.24 7
189.6 2.1 2
190.4 0.35 0
190.5 1.63 1
190.6 4.64 4
190.7 11.99 11
190.8 25.19 25
190.9 42.33 42
191.0 58.39 58
191.1 67.78 67
191.2 67.62 67
191.3 58.35 58
191.4 42.43 42
191.5 23.88 23
191.6 8.1 8
191.7 0.14 0
192.9 1.66 1
193.0 3.65 3
193.1 5.52 5
193.2 5.52 5
193.3 3.46 3
200.2 0.12 0
200.3 1.58 1
200.4 4.61 4
200.5 7.66 7
200.6 9.92 9
200.7 13.58 13
200.8 21.96 21
200.9 35.05 35
201.0 48.31 48
201.1 56.45 56
201.2 57.36 57
201.3 51.69 51
201.4 40.28 40
201.5 24.66 24
201.6 9.35 9
201.7 0.53 0
202.8 4.19 4
202.9 5.81 5
203.0 7.34 7
203.1 8.1 8
203.2 8.24 8
203.3 7.58 7
203.4 5.51 5
203.5 2.59 2
204.6 3.22 3
204.7 4.2 4
204.8 6.02 6
204.9 9.65 9
205.0 14.76 14
205.1 19.76 19
205.2 22.91 22
205.3 22.62 22
205.4 17.92 17
205.5 10.07 10
205.6 2.83 2
206.6 2.44 2
206.7 3.76 3
206.8 5.38 5
206.9 7.85 7
207.0 11.74 11
207.1 15.63 15
207.2 16.39 16
207.3 12.72 12
207.4 7.04 7
207.5 2.68 2
208.6 0.22 0
208.7 1.63 1
208.8 4.48 4
208.9 7.23 7
209.0 8.57 8
209.1 8.62 8
209.2 8.09 8
209.3 6.91 6
209.4 4.74 4
209.5 2.22 2
210.7 1.22 1
210.8 2.59 2
210.9 5.42 5
211.0 8.53 8
211.1 9.5 9
211.2 7.37 7
211.3 3.88 3
218.4 2.08 2
218.5 3.35 3
218.6 6.03 6
218.7 11.28 11
218.8 19.28 19
218.9 28.98 28
219.0 38.52 38
219.1 45.39 45
219.2 46.84 46
219.3 41.09 41
219.4 28.88 28
219.5 14.34 14
219.6 3.47 3
228.6 0.29 0
228.7 2.8 2
228.8 9.24 9
228.9 17.82 17
229.0 24.59 24
229.1 26.08 26
229.2 22.12 22
229.3 15.27 15
229.4 8.3 8
229.5 3.01 3
236.7 1.53 1
236.8 3.31 3
236.9 5.11 5
237.0 5.92 5
237.1 5.29 5
237.2 3.76 3
246.4 2.68 2
246.5 4.17 4
246.6 5.68 5
246.7 8.39 8
246.8 14.43 14
246.9 23.42 23
247.0 31.51 31
247.1 35.8 35
247.2 36.79 36
247.3 34.45 34
247.4 26.62 26
247.5 14.14 14
247.6 3.03 3
264.6 0.72 0
264.7 2.15 2
264.8 4.66 4
264.9 7.66 7
265.0 9.84 9
265.1 10.08 10
265.2 8.62 8
265.3 6.75 6
265.4 5.14 5
265.5 3.44 3
//
