MassBank Record: MSBNK-RIKEN_NPDepo-NGA01729
ACCESSION: MSBNK-RIKEN_NPDepo-NGA01729
RECORD_TITLE: Artemisinin; 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$NAME: Artemisinin
CH$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: splash10-0002-3900000000-ac363923cef478c1dee2
PK$NUM_PEAK: 737
PK$PEAK: m/z int. rel.int.
54.3 1.58 1
54.4 3.52 3
54.5 7.21 7
54.6 11.84 11
54.7 16.45 16
54.8 21.0 20
54.9 26.01 25
55.0 30.6 30
55.1 31.76 31
55.2 26.81 26
55.3 16.87 16
55.4 6.76 6
55.5 0.84 0
56.4 1.21 1
56.5 2.84 2
56.6 4.88 4
56.7 6.6 6
56.8 8.01 8
56.9 9.79 9
57.0 11.97 11
57.1 13.35 13
57.2 12.64 12
57.3 9.74 9
57.4 5.9 5
57.5 2.65 2
66.2 2.26 2
66.3 3.64 3
66.4 5.01 5
66.5 6.41 6
66.6 9.28 9
66.7 15.61 15
66.8 26.02 25
66.9 38.19 38
67.0 47.76 47
67.1 50.18 50
67.2 42.7 42
67.3 27.1 27
67.4 10.45 10
67.5 0.65 0
68.3 0.69 0
68.4 1.57 1
68.5 4.46 4
68.6 8.95 8
68.7 13.55 13
68.8 17.47 17
68.9 21.78 21
69.0 26.69 26
69.1 29.13 29
69.2 25.53 25
69.3 16.69 16
69.4 7.44 7
69.5 1.75 1
70.2 1.26 1
70.3 2.98 2
70.4 5.19 5
70.5 7.32 7
70.6 10.14 10
70.7 15.21 15
70.8 22.7 22
70.9 30.73 30
71.0 36.64 36
71.1 38.21 38
71.2 34.3 34
71.3 25.71 25
71.4 15.35 15
71.5 6.65 6
71.6 1.68 1
76.6 1.76 1
76.7 3.12 3
76.8 4.74 4
76.9 6.67 6
77.0 8.43 8
77.1 8.68 8
77.2 6.65 6
77.3 3.46 3
78.5 1.77 1
78.6 3.97 3
78.7 8.6 8
78.8 14.72 14
78.9 20.1 20
79.0 23.49 23
79.1 24.56 24
79.2 22.29 22
79.3 15.98 15
79.4 7.85 7
79.5 1.91 1
80.4 2.17 2
80.5 4.43 4
80.6 10.67 10
80.7 21.21 21
80.8 33.0 32
80.9 41.46 41
81.0 43.8 43
81.1 41.26 41
81.2 37.19 37
81.3 32.58 32
81.4 25.17 25
81.5 14.34 14
81.6 4.16 4
82.6 2.08 2
82.7 3.64 3
82.8 6.97 6
82.9 10.66 10
83.0 12.24 12
83.1 10.85 10
83.2 7.89 7
83.3 4.98 4
83.4 2.73 2
84.4 3.74 3
84.5 4.19 4
84.6 5.23 5
84.7 8.97 8
84.8 16.08 16
84.9 24.37 24
85.0 30.39 30
85.1 31.89 31
85.2 28.28 28
85.3 20.24 20
85.4 10.33 10
85.5 2.57 2
90.2 1.24 1
90.3 2.44 2
90.4 4.34 4
90.5 7.4 7
90.6 12.25 12
90.7 19.54 19
90.8 28.62 28
90.9 36.42 36
91.0 39.84 39
91.1 39.09 39
91.2 35.79 35
91.3 29.09 29
91.4 18.12 18
91.5 6.54 6
91.6 0.18 0
92.3 1.52 1
92.4 3.54 3
92.5 7.38 7
92.6 14.67 14
92.7 27.42 27
92.8 44.74 44
92.9 60.9 60
93.0 69.25 69
93.1 68.36 68
93.2 61.7 61
93.3 51.32 51
93.4 36.4 36
93.5 18.69 18
93.6 4.38 4
94.1 0.62 0
94.2 1.94 1
94.3 6.24 6
94.4 11.9 11
94.5 17.16 17
94.6 22.59 22
94.7 31.04 31
94.8 43.83 43
94.9 58.76 58
95.0 72.03 71
95.1 79.89 79
95.2 78.3 78
95.3 64.73 64
95.4 42.23 42
95.5 19.32 19
95.6 4.15 4
96.3 1.28 1
96.4 2.79 2
96.5 4.85 4
96.6 7.11 7
96.7 9.35 9
96.8 12.29 12
96.9 16.03 16
97.0 18.99 18
97.1 18.89 18
97.2 15.22 15
97.3 9.79 9
97.4 4.85 4
97.5 1.64 1
98.4 2.1 2
98.5 3.05 3
98.6 4.2 4
98.7 6.98 6
98.8 11.21 11
98.9 14.11 14
99.0 13.63 13
99.1 11.32 11
99.2 9.65 9
99.3 8.4 8
99.4 6.04 6
99.5 2.94 2
104.2 0.84 0
104.3 2.57 2
104.4 6.08 6
104.5 12.24 12
104.6 22.08 22
104.7 33.94 33
104.8 44.35 44
104.9 53.27 53
105.0 64.25 64
105.1 76.57 76
105.2 81.64 81
105.3 71.16 71
105.4 47.04 46
105.5 20.66 20
105.6 3.19 3
106.2 1.2 1
106.3 3.55 3
106.4 8.05 8
106.5 13.62 13
106.6 18.0 17
106.7 21.91 21
106.8 28.9 28
106.9 39.12 39
107.0 48.95 48
107.1 53.25 53
107.2 48.58 48
107.3 35.82 35
107.4 20.45 20
107.5 8.6 8
107.6 2.46 2
108.3 0.85 0
108.4 3.05 3
108.5 7.65 7
108.6 12.59 12
108.7 15.98 15
108.8 19.31 19
108.9 26.31 26
109.0 36.48 36
109.1 42.97 42
109.2 39.53 39
109.3 27.66 27
109.4 14.45 14
109.5 5.37 5
109.6 1.62 1
110.3 2.34 2
110.4 3.7 3
110.5 4.68 4
110.6 5.88 5
110.7 8.9 8
110.8 14.23 14
110.9 19.68 19
111.0 22.16 22
111.1 20.46 20
111.2 15.5 15
111.3 9.14 9
111.4 3.54 3
114.8 1.93 1
114.9 3.4 3
115.0 4.98 4
115.1 5.34 5
115.2 4.13 4
116.4 2.22 2
116.5 4.7 4
116.6 8.15 8
116.7 11.69 11
116.8 14.49 14
116.9 16.14 16
117.0 17.23 17
117.1 18.85 18
117.2 20.39 20
117.3 19.13 19
117.4 13.64 13
117.5 6.42 6
117.6 1.38 1
118.1 1.07 1
118.2 3.2 3
118.3 6.18 6
118.4 8.75 8
118.5 11.16 11
118.6 16.2 16
118.7 26.13 26
118.8 39.05 39
118.9 50.68 50
119.0 59.07 59
119.1 64.68 64
119.2 66.26 66
119.3 60.14 60
119.4 44.78 44
119.5 24.59 24
119.6 7.6 7
119.7 0.07 0
120.2 1.03 1
120.3 2.32 2
120.4 6.37 6
120.5 12.68 12
120.6 21.87 21
120.7 35.4 35
120.8 51.49 51
120.9 63.78 63
121.0 67.59 67
121.1 65.03 64
121.2 60.7 60
121.3 54.74 54
121.4 43.66 43
121.5 27.01 26
121.6 10.34 10
121.7 0.65 0
122.0 0.89 0
122.1 2.02 2
122.2 3.58 3
122.3 5.96 5
122.4 7.94 7
122.5 8.43 8
122.6 8.81 8
122.7 12.19 12
122.8 20.51 20
122.9 32.91 32
123.0 45.61 45
123.1 53.64 53
123.2 53.68 53
123.3 45.38 45
123.4 30.85 30
123.5 14.57 14
123.6 2.52 2
124.4 2.77 2
124.5 4.34 4
124.6 5.2 5
124.7 5.74 5
124.8 7.15 7
124.9 9.42 9
125.0 10.88 10
125.1 10.4 10
125.2 8.52 8
125.3 6.18 6
125.4 3.75 3
126.8 2.29 2
126.9 3.39 3
127.0 4.78 4
127.1 6.19 6
127.2 6.58 6
127.3 5.14 5
127.6 1.95 1
127.7 4.59 4
127.8 7.6 7
127.9 9.48 9
128.0 10.2 10
128.1 10.93 10
128.2 11.57 11
128.3 10.2 10
129.7 2.55 2
129.8 4.42 4
129.9 6.58 6
130.0 8.38 8
130.1 9.21 9
130.2 9.05 9
130.3 8.98 8
130.4 10.4 10
130.5 13.05 13
130.6 16.12 16
130.7 22.74 22
130.8 38.2 38
130.9 59.85 59
131.0 75.37 75
131.1 77.48 77
131.2 72.41 72
131.3 66.86 66
131.4 56.32 56
131.5 35.77 35
131.6 12.57 12
131.7 0.19 0
132.0 2.67 2
132.1 3.05 3
132.2 3.4 3
132.3 5.38 5
132.4 8.9 8
132.5 12.94 12
132.6 18.14 18
132.7 27.6 27
132.8 43.86 43
132.9 64.37 64
133.0 80.75 80
133.1 85.36 85
133.2 78.18 78
133.3 64.53 64
133.4 47.6 47
133.5 28.36 28
133.6 10.67 10
133.7 0.85 0
134.0 1.27 1
134.1 2.64 2
134.2 3.59 3
134.3 4.13 4
134.4 4.95 4
134.5 7.29 7
134.6 12.52 12
134.7 21.18 21
134.8 31.43 31
134.9 39.14 39
135.0 40.79 40
135.1 36.75 36
135.2 30.33 30
135.3 23.87 23
135.4 17.29 17
135.5 10.38 10
135.6 4.47 4
135.7 1.09 1
136.5 1.64 1
136.6 4.19 4
136.7 7.49 7
136.8 10.03 10
136.9 10.65 10
137.0 9.7 9
137.1 8.5 8
137.2 7.56 7
137.3 6.12 6
137.4 3.8 3
138.7 2.15 2
138.8 3.85 3
138.9 6.76 6
139.0 9.8 9
139.1 11.08 11
139.2 9.6 9
139.3 6.25 6
139.4 2.89 2
140.5 1.89 1
140.6 3.44 3
140.7 4.63 4
140.8 4.82 4
140.9 4.9 4
141.0 6.12 6
141.1 7.7 7
141.2 7.52 7
141.3 5.07 5
141.6 2.56 2
141.7 5.19 5
141.8 7.75 7
141.9 8.9 8
142.0 8.1 8
142.4 5.21 5
142.5 7.0 6
142.6 10.02 10
142.7 16.03 16
142.8 26.3 26
142.9 37.82 37
143.0 43.36 43
143.1 38.9 38
143.2 28.98 28
143.3 20.8 20
143.4 15.74 15
143.7 9.47 9
143.8 13.44 13
143.9 16.43 16
144.0 16.17 16
144.1 13.41 13
144.3 10.31 10
144.4 13.34 13
144.5 17.77 17
144.6 23.47 23
144.7 34.33 34
144.8 52.52 52
144.9 73.56 73
145.0 90.47 90
145.1 99.84 99
145.2 100.0 99
145.3 87.39 87
145.4 61.04 60
145.5 29.23 29
145.6 5.26 5
146.5 1.25 1
146.6 5.05 5
146.7 12.06 12
146.8 19.53 19
146.9 24.24 24
147.0 24.98 24
147.1 23.0 22
147.2 19.68 19
147.3 15.17 15
147.4 9.85 9
147.5 5.34 5
147.8 4.48 4
147.9 6.14 6
148.0 7.51 7
148.1 8.03 8
148.2 7.46 7
148.3 6.19 6
148.4 5.58 5
148.5 8.09 8
148.6 15.3 15
148.7 25.22 25
148.8 34.0 33
148.9 40.17 40
149.0 45.43 45
149.1 50.46 50
149.2 52.65 52
149.3 48.62 48
149.4 37.42 37
149.5 21.86 21
149.6 7.66 7
149.7 0.5 0
150.4 0.85 0
150.5 2.1 2
150.6 5.88 5
150.7 13.11 13
150.8 23.04 23
150.9 33.16 33
151.0 40.28 40
151.1 42.92 42
151.2 42.23 42
151.3 39.01 38
151.4 31.55 31
151.5 19.33 19
151.6 6.84 6
151.7 0.23 0
152.4 0.63 0
152.5 2.14 2
152.6 4.98 4
152.7 7.76 7
152.8 8.63 8
152.9 7.12 7
153.0 4.49 4
154.6 2.87 2
154.7 5.84 5
154.8 10.24 10
154.9 13.52 13
155.0 15.01 14
155.1 15.79 15
155.2 15.91 15
155.3 13.82 13
155.4 9.09 9
155.5 4.02 4
156.6 2.04 2
156.7 3.95 3
156.8 8.39 8
156.9 12.89 12
157.0 14.87 14
157.1 14.58 14
157.2 13.63 13
157.3 12.08 12
157.4 9.21 9
157.6 5.34 5
157.7 8.23 8
157.8 13.56 13
157.9 18.43 18
158.0 20.36 20
158.1 19.41 19
158.2 18.02 18
158.3 18.15 18
158.4 18.79 18
158.5 17.55 17
158.6 15.48 15
158.7 18.25 18
158.8 30.13 30
158.9 47.91 47
159.0 63.98 63
159.1 73.69 73
159.2 75.9 75
159.3 68.73 68
159.4 50.89 50
159.5 27.37 27
159.6 8.34 8
159.7 0.03 0
160.4 3.67 3
160.5 5.11 5
160.6 10.32 10
160.7 22.08 22
160.8 37.59 37
160.9 50.56 50
161.0 57.6 57
161.1 60.05 59
161.2 59.63 59
161.3 54.59 54
161.4 42.14 42
161.5 24.03 24
161.6 7.59 7
161.7 0.75 0
162.4 2.51 2
162.5 3.94 3
162.6 7.8 7
162.7 14.84 14
162.8 22.7 22
162.9 26.28 26
163.0 24.75 24
163.1 22.56 22
163.2 23.11 23
163.3 24.13 24
163.4 20.95 20
163.5 12.98 12
163.6 4.71 4
167.7 4.0 3
167.8 6.01 6
167.9 8.5 8
168.0 10.5 10
168.1 11.97 11
168.2 12.46 12
168.3 10.86 10
168.4 7.05 7
168.5 2.88 2
170.3 1.25 1
170.4 3.67 3
170.5 6.88 6
170.6 8.74 8
170.7 8.13 8
170.8 7.17 7
170.9 9.49 9
171.0 15.48 15
171.1 20.35 20
171.2 18.88 18
171.3 11.55 11
171.4 3.88 3
171.7 1.38 1
171.8 4.52 4
171.9 9.36 9
172.0 14.15 14
172.1 15.91 15
172.2 13.46 13
172.5 8.75 8
172.6 15.56 15
172.7 28.23 28
172.8 44.72 44
172.9 58.54 58
173.0 64.89 64
173.1 66.17 66
173.2 66.89 66
173.3 64.96 64
173.4 54.02 53
173.5 34.16 34
173.6 14.85 14
173.7 5.77 5
174.6 2.6 2
174.7 4.66 4
174.8 6.18 6
174.9 6.56 6
175.0 6.83 6
175.1 7.99 7
175.2 9.24 9
175.3 8.82 8
175.4 6.47 6
175.5 3.62 3
176.3 1.29 1
176.4 3.32 3
176.5 6.97 6
176.6 11.22 11
176.7 14.9 14
176.8 17.59 17
176.9 18.86 18
177.0 18.64 18
177.1 18.88 18
177.2 21.09 21
177.3 22.22 22
177.4 17.66 17
177.5 8.47 8
177.6 1.08 1
177.8 0.9 0
177.9 3.08 3
178.0 4.55 4
178.1 4.23 4
182.5 2.72 2
182.6 4.0 3
182.7 5.37 5
182.8 7.92 7
182.9 12.04 12
183.0 15.8 15
183.1 16.46 16
183.2 13.65 13
183.3 9.7 9
183.4 6.66 6
183.5 4.53 4
183.6 2.63 2
185.7 1.41 1
185.8 2.62 2
185.9 4.47 4
186.0 5.97 5
186.1 5.91 5
186.2 4.08 4
186.5 1.32 1
186.6 4.07 4
186.7 7.21 7
186.8 9.13 9
186.9 9.23 9
187.0 8.02 8
187.1 6.46 6
187.2 5.11 5
187.3 3.98 3
187.4 2.81 2
188.5 1.58 1
188.6 3.21 3
188.7 7.3 7
188.8 12.07 12
188.9 14.56 14
189.0 14.83 14
189.1 15.5 15
189.2 16.64 16
189.3 15.1 15
189.4 9.73 9
189.5 3.88 3
190.3 1.88 1
190.4 3.0 2
190.5 4.15 4
190.6 5.07 5
190.7 5.66 5
190.8 6.07 6
190.9 6.64 6
191.0 7.84 7
191.1 9.72 9
191.2 11.23 11
191.3 10.97 10
191.4 8.63 8
191.5 5.32 5
191.6 2.45 2
192.7 1.17 1
192.8 2.71 2
192.9 4.32 4
193.0 4.83 4
193.1 4.45 4
193.2 4.38 4
193.3 4.74 4
193.4 4.39 4
193.5 2.93 2
195.7 1.43 1
195.8 2.77 2
195.9 4.06 4
196.0 4.29 4
196.1 3.23 3
200.6 0.89 0
200.7 1.98 1
200.8 5.83 5
200.9 11.42 11
201.0 16.61 16
201.1 20.11 20
201.2 21.1 21
201.3 18.18 18
201.4 11.45 11
201.5 4.24 4
206.6 1.41 1
206.7 2.74 2
206.8 4.88 4
206.9 6.93 6
207.0 7.55 7
207.1 6.27 6
207.2 3.99 3
228.7 0.66 0
228.8 2.04 2
228.9 4.66 4
229.0 7.01 7
229.1 7.35 7
229.2 5.62 5
229.3 3.33 3
//
