MassBank Record: MSBNK-RIKEN_NPDepo-NGA01731
ACCESSION: MSBNK-RIKEN_NPDepo-NGA01731
RECORD_TITLE: Artemisinin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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: splash10-00dj-0940000000-3dbe63b03abba2a33fe7
PK$NUM_PEAK: 582
PK$PEAK: m/z int. rel.int.
70.6 1.71 1
70.7 3.08 3
70.8 4.51 4
70.9 5.73 5
71.0 6.83 6
71.1 7.59 7
71.2 7.17 7
71.3 5.22 5
71.4 2.63 2
80.7 3.19 3
80.8 5.56 5
80.9 7.32 7
81.0 7.55 7
81.1 6.53 6
81.2 4.89 4
81.3 3.03 3
84.6 1.87 1
84.7 3.66 3
84.8 5.55 5
84.9 6.31 6
85.0 5.9 5
85.1 5.24 5
85.2 4.78 4
85.3 4.0 3
92.7 2.13 2
92.8 3.98 3
92.9 6.42 6
93.0 8.66 8
93.1 9.9 9
93.2 9.5 9
93.3 7.37 7
93.4 4.33 4
94.5 2.52 2
94.6 4.0 3
94.7 6.92 6
94.8 11.58 11
94.9 16.81 16
95.0 20.53 20
95.1 21.39 21
95.2 19.48 19
95.3 15.43 15
95.4 9.93 9
95.5 4.38 4
98.6 2.35 2
98.7 3.97 3
98.8 6.11 6
98.9 7.33 7
99.0 6.5 6
99.1 4.25 4
104.5 1.64 1
104.6 3.08 3
104.7 5.31 5
104.8 7.73 7
104.9 9.36 9
105.0 9.51 9
105.1 8.37 8
105.2 6.69 6
105.3 5.06 5
105.4 3.54 3
106.7 2.47 2
106.8 4.76 4
106.9 7.28 7
107.0 9.02 9
107.1 9.66 9
107.2 9.28 9
107.3 7.74 7
107.4 5.03 5
107.5 2.11 2
108.5 2.22 2
108.6 4.17 4
108.7 5.78 5
108.8 6.54 6
108.9 6.79 6
109.0 7.34 7
109.1 8.53 8
109.2 9.56 9
109.3 9.07 9
109.4 6.61 6
109.5 3.31 3
110.7 0.99 0
110.8 3.01 3
110.9 5.95 5
111.0 8.18 8
111.1 8.26 8
111.2 6.44 6
111.3 4.13 4
118.5 1.02 1
118.6 2.9 2
118.7 6.28 6
118.8 10.59 10
118.9 15.2 15
119.0 19.84 19
119.1 23.18 23
119.2 22.84 22
119.3 18.01 17
119.4 10.84 10
119.5 4.57 4
120.4 1.99 1
120.5 3.47 3
120.6 5.12 5
120.7 7.99 7
120.8 12.91 12
120.9 18.84 18
121.0 23.23 23
121.1 24.7 24
121.2 23.75 23
121.3 20.69 20
121.4 15.13 15
121.5 8.04 8
121.6 2.51 2
122.3 1.55 1
122.4 2.99 2
122.5 5.25 5
122.6 8.56 8
122.7 13.26 13
122.8 18.84 18
122.9 23.72 23
123.0 26.58 26
123.1 26.95 26
123.2 24.58 24
123.3 19.3 19
123.4 12.21 12
123.5 5.74 5
123.6 1.9 1
124.4 0.71 0
124.5 2.0 1
124.6 4.83 4
124.7 9.36 9
124.8 15.76 15
124.9 23.46 23
125.0 30.53 30
125.1 34.73 34
125.2 34.46 34
125.3 28.84 28
125.4 18.78 18
125.5 8.03 8
125.6 1.42 1
130.8 4.88 4
130.9 7.88 7
131.0 12.46 12
131.1 15.9 15
131.2 16.54 16
131.3 14.48 14
131.4 10.33 10
131.5 5.2 5
131.6 1.1 1
132.5 2.41 2
132.6 4.09 4
132.7 7.22 7
132.8 11.97 11
132.9 16.84 16
133.0 20.42 20
133.1 22.55 22
133.2 23.03 23
133.3 20.47 20
133.4 14.29 14
133.5 6.78 6
133.6 1.37 1
134.3 0.89 0
134.4 2.75 2
134.5 5.74 5
134.6 8.37 8
134.7 10.36 10
134.8 12.05 12
134.9 14.2 14
135.0 16.52 16
135.1 17.75 17
135.2 16.73 16
135.3 13.07 13
135.4 7.72 7
135.5 2.74 2
136.6 0.8 0
136.7 2.41 2
136.8 4.86 4
136.9 6.87 6
137.0 7.31 7
137.1 6.3 6
137.2 4.89 4
138.6 1.74 1
138.7 4.17 4
138.8 6.86 6
138.9 8.85 8
139.0 10.56 10
139.1 12.79 12
139.2 14.41 14
139.3 12.99 12
139.4 8.27 8
139.5 3.15 3
140.5 1.32 1
140.6 2.68 2
140.7 4.38 4
140.8 7.02 7
140.9 10.87 10
141.0 14.85 14
141.1 16.52 16
141.2 14.36 14
141.3 9.41 9
141.4 4.34 4
142.7 2.87 2
142.8 3.99 3
142.9 5.22 5
143.0 6.48 6
143.1 6.84 6
143.2 5.54 5
143.3 3.18 3
144.4 1.98 1
144.5 4.54 4
144.6 8.18 8
144.7 13.2 13
144.8 19.17 19
144.9 24.86 24
145.0 29.28 29
145.1 32.17 32
145.2 33.23 33
145.3 31.57 31
145.4 26.34 26
145.5 17.86 17
145.6 8.62 8
145.7 2.04 2
146.6 2.63 2
146.7 4.24 4
146.8 6.86 6
146.9 10.08 10
147.0 12.96 12
147.1 14.7 14
147.2 14.54 14
147.3 11.84 11
147.4 7.15 7
147.5 2.6 2
148.5 3.11 3
148.6 5.0 4
148.7 9.33 9
148.8 16.32 16
148.9 24.29 24
149.0 30.46 30
149.1 32.89 32
149.2 31.36 31
149.3 26.42 26
149.4 18.72 18
149.5 9.87 9
149.6 2.74 2
150.3 0.31 0
150.4 1.6 1
150.5 5.16 5
150.6 10.41 10
150.7 17.29 17
150.8 26.62 26
150.9 37.89 37
151.0 47.57 47
151.1 51.56 51
151.2 48.62 48
151.3 39.83 39
151.4 26.95 26
151.5 13.18 13
151.6 2.98 2
156.5 1.01 1
156.6 2.35 2
156.7 5.98 5
156.8 12.09 12
156.9 18.95 18
157.0 23.16 23
157.1 22.67 22
157.2 18.78 18
157.3 14.02 14
157.4 9.38 9
157.5 4.84 4
158.3 2.52 2
158.4 4.4 4
158.5 7.09 7
158.6 11.05 11
158.7 17.41 17
158.8 26.03 26
158.9 34.63 34
159.0 41.21 41
159.1 45.76 45
159.2 48.04 47
159.3 45.09 45
159.4 34.3 34
159.5 18.48 18
159.6 4.97 4
160.4 0.54 0
160.5 2.19 2
160.6 6.27 6
160.7 11.7 11
160.8 18.09 18
160.9 25.26 25
161.0 30.86 30
161.1 31.6 31
161.2 27.57 27
161.3 21.83 21
161.4 15.82 15
161.5 8.99 8
161.6 2.77 2
162.4 1.26 1
162.5 3.96 3
162.6 7.85 7
162.7 11.74 11
162.8 15.72 15
162.9 21.33 21
163.0 28.86 28
163.1 35.73 35
163.2 38.5 38
163.3 35.36 35
163.4 26.7 26
163.5 15.07 15
163.6 4.83 4
164.5 1.25 1
164.6 2.76 2
164.7 4.42 4
164.8 5.72 5
164.9 6.68 6
165.0 7.4 7
165.1 7.66 7
165.2 6.99 6
165.3 5.2 5
165.4 2.87 2
166.7 1.61 1
166.8 3.12 3
166.9 5.78 5
167.0 8.19 8
167.1 9.15 9
167.2 8.6 8
167.3 6.95 6
167.4 4.53 4
172.2 2.4 2
172.3 4.21 4
172.4 7.24 7
172.5 10.42 10
172.6 14.43 14
172.7 23.59 23
172.8 41.95 41
172.9 66.74 66
173.0 88.47 88
173.1 99.25 99
173.2 97.93 97
173.3 86.13 86
173.4 64.6 64
173.5 37.05 37
173.6 12.61 12
173.7 0.63 0
174.6 1.21 1
174.7 2.88 2
174.8 5.89 5
174.9 9.68 9
175.0 12.4 12
175.1 12.41 12
175.2 10.13 10
175.3 7.54 7
175.4 5.7 5
175.5 4.07 4
176.3 0.89 0
176.4 3.21 3
176.5 7.17 7
176.6 11.22 11
176.7 14.26 14
176.8 17.14 17
176.9 21.84 21
177.0 28.8 28
177.1 35.53 35
177.2 38.24 38
177.3 34.39 34
177.4 24.41 24
177.5 12.13 12
177.6 2.67 2
178.6 1.64 1
178.7 3.18 3
178.8 5.8 5
178.9 9.92 9
179.0 14.83 14
179.1 18.44 18
179.2 19.04 19
179.3 16.56 16
179.4 12.02 12
179.5 6.69 6
179.6 2.16 2
180.6 1.35 1
180.7 4.17 4
180.8 8.65 8
180.9 12.89 12
181.0 14.71 14
181.1 13.3 13
181.2 9.94 9
181.3 6.84 6
181.4 4.96 4
181.5 3.77 3
182.6 1.78 1
182.7 3.71 3
182.8 5.86 5
182.9 8.05 8
183.0 10.37 10
183.1 12.57 12
183.2 13.46 13
183.3 11.82 11
183.4 7.84 7
183.5 3.45 3
186.7 2.81 2
186.8 5.18 5
186.9 9.24 9
187.0 13.37 13
187.1 15.69 15
187.2 15.6 15
187.3 13.36 13
187.4 9.42 9
187.5 4.83 4
187.6 1.3 1
188.4 2.02 2
188.5 3.25 3
188.6 4.45 4
188.7 6.6 6
188.8 10.7 10
188.9 15.58 15
189.0 18.83 18
189.1 19.92 19
189.2 20.18 20
189.3 19.56 19
189.4 16.06 16
189.5 9.41 9
189.6 2.85 2
190.3 1.02 1
190.4 3.28 3
190.5 8.13 8
190.6 14.68 14
190.7 23.27 23
190.8 36.08 36
190.9 53.57 53
191.0 71.13 71
191.1 81.63 81
191.2 81.11 81
191.3 70.27 70
191.4 51.93 51
191.5 30.21 30
191.6 11.19 11
191.7 1.26 1
200.4 1.14 1
200.5 3.67 3
200.6 7.56 7
200.7 16.2 16
200.8 32.13 32
200.9 53.68 53
201.0 74.1 74
201.1 86.0 85
201.2 86.76 86
201.3 77.88 77
201.4 60.97 60
201.5 38.16 38
201.6 15.48 15
201.7 1.42 1
202.8 3.68 3
202.9 4.65 4
203.0 6.67 6
203.1 9.79 9
203.2 12.32 12
203.3 12.14 12
203.4 9.02 9
203.5 4.85 4
203.6 1.71 1
204.7 3.7 3
204.8 6.26 6
204.9 11.67 11
205.0 18.83 18
205.1 24.98 24
205.2 26.75 26
205.3 22.43 22
205.4 13.93 13
205.5 5.64 5
205.6 1.11 1
206.6 2.48 2
206.7 4.66 4
206.8 7.73 7
206.9 11.4 11
207.0 14.72 14
207.1 16.44 16
207.2 15.94 15
207.3 13.33 13
207.4 9.01 9
207.5 4.15 4
208.5 3.41 3
208.6 4.31 4
208.7 4.91 4
208.8 6.67 6
208.9 10.41 10
209.0 14.68 14
209.1 17.28 17
209.2 17.61 17
209.3 16.14 16
209.4 12.75 12
209.5 7.65 7
209.6 2.69 2
210.7 2.15 2
210.8 4.3 4
210.9 7.84 7
211.0 10.87 10
211.1 11.2 11
211.2 8.91 8
211.3 5.91 5
211.4 3.52 3
218.3 0.76 0
218.4 3.19 3
218.5 8.12 8
218.6 14.92 14
218.7 23.52 23
218.8 34.93 34
218.9 49.32 49
219.0 64.55 64
219.1 77.84 77
219.2 86.07 85
219.3 83.47 83
219.4 65.02 64
219.5 35.4 35
219.6 8.95 8
219.7 0.0 0
222.6 1.61 1
222.7 3.15 3
222.8 5.04 5
222.9 6.92 6
223.0 8.13 8
223.1 8.02 8
223.2 6.66 6
223.3 4.81 4
223.4 3.16 3
228.4 2.78 2
228.5 3.89 3
228.6 5.85 5
228.7 10.62 10
228.8 18.58 18
228.9 27.93 27
229.0 36.1 36
229.1 41.33 41
229.2 42.46 42
229.3 38.2 38
229.4 28.27 28
229.5 15.43 15
229.6 4.75 4
236.5 0.82 0
236.6 2.15 2
236.7 4.6 4
236.8 7.6 7
236.9 10.68 10
237.0 13.17 13
237.1 13.96 13
237.2 12.7 12
237.3 10.37 10
237.4 7.9 7
237.5 5.17 5
237.6 2.27 2
246.2 0.29 0
246.3 2.14 2
246.4 6.39 6
246.5 11.42 11
246.6 15.91 15
246.7 23.19 23
246.8 39.39 39
246.9 64.56 64
247.0 88.52 88
247.1 100.0 99
247.2 97.23 97
247.3 84.58 84
247.4 63.86 63
247.5 36.74 36
247.6 11.43 11
247.7 0.03 0
264.5 2.42 2
264.6 3.38 3
264.7 5.29 5
264.8 11.54 11
264.9 23.42 23
265.0 37.37 37
265.1 47.08 47
265.2 49.96 49
265.3 47.56 47
265.4 40.27 40
265.5 27.3 27
265.6 11.96 11
265.7 1.48 1
282.7 1.47 1
282.8 2.91 2
282.9 4.18 4
283.0 5.13 5
283.1 5.87 5
283.2 5.97 5
283.3 4.83 4
283.4 2.83 2
//
