MassBank Record: MSBNK-RIKEN_NPDepo-NGA01732
ACCESSION: MSBNK-RIKEN_NPDepo-NGA01732
RECORD_TITLE: Artemisinin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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: splash10-00kb-0690000000-095a761e8c9617309143
PK$NUM_PEAK: 356
PK$PEAK: m/z int. rel.int.
94.7 2.2 2
94.8 4.22 4
94.9 6.29 6
95.0 7.43 7
95.1 7.38 7
95.2 6.54 6
95.3 5.17 5
95.4 3.33 3
120.5 2.0 1
120.6 3.14 3
120.7 4.14 4
120.8 5.24 5
120.9 6.58 6
121.0 7.49 7
121.1 7.28 7
121.2 6.05 6
121.3 4.46 4
121.4 2.84 2
122.6 1.66 1
122.7 3.11 3
122.8 5.03 5
122.9 6.69 6
123.0 7.43 7
123.1 7.29 7
123.2 6.67 6
123.3 5.57 5
123.4 3.77 3
124.2 0.57 0
124.3 1.96 1
124.4 4.03 4
124.5 6.21 6
124.6 8.79 8
124.7 12.37 12
124.8 16.84 16
124.9 21.32 21
125.0 25.1 25
125.1 27.81 27
125.2 28.71 28
125.3 26.28 26
125.4 19.65 19
125.5 10.54 10
125.6 2.8 2
130.7 1.21 1
130.8 2.77 2
130.9 4.23 4
131.0 5.05 5
131.1 5.47 5
131.2 5.77 5
131.3 5.42 5
131.4 3.84 3
132.6 1.49 1
132.7 2.82 2
132.8 5.09 5
132.9 7.59 7
133.0 8.9 8
133.1 8.09 8
133.2 5.73 5
133.3 3.27 3
134.5 1.09 1
134.6 2.45 2
134.7 4.27 4
134.8 6.1 6
134.9 7.65 7
135.0 8.77 8
135.1 9.11 9
135.2 8.29 8
135.3 6.31 6
135.4 3.79 3
138.7 1.49 1
138.8 2.86 2
138.9 4.33 4
139.0 5.38 5
139.1 5.82 5
139.2 5.68 5
139.3 4.86 4
139.4 3.28 3
140.7 2.27 2
140.8 3.89 3
140.9 5.79 5
141.0 7.44 7
141.1 7.99 7
141.2 6.85 6
141.3 4.52 4
141.4 2.21 2
144.6 3.04 3
144.7 3.97 3
144.8 5.82 5
144.9 8.62 8
145.0 11.21 11
145.1 12.28 12
145.2 11.45 11
145.3 9.01 9
145.4 5.58 5
145.5 2.23 2
148.5 0.89 0
148.6 2.21 2
148.7 4.64 4
148.8 8.1 8
148.9 11.6 11
149.0 13.86 13
149.1 14.79 14
149.2 15.08 15
149.3 14.31 14
149.4 11.07 11
149.5 5.79 5
149.6 1.26 1
150.5 1.97 1
150.6 3.54 3
150.7 7.0 6
150.8 12.14 12
150.9 17.11 17
151.0 19.99 19
151.1 20.6 20
151.2 19.96 19
151.3 18.25 18
151.4 14.41 14
151.5 8.44 8
151.6 2.65 2
156.5 1.09 1
156.6 2.82 2
156.7 4.99 4
156.8 7.62 7
156.9 11.15 11
157.0 14.78 14
157.1 16.36 16
157.2 14.74 14
157.3 10.95 10
157.4 6.73 6
157.5 3.1 3
158.5 2.8 2
158.6 4.32 4
158.7 6.8 6
158.8 10.22 10
158.9 13.84 13
159.0 16.71 16
159.1 18.11 18
159.2 17.62 17
159.3 15.15 15
159.4 10.99 10
159.5 6.05 6
159.6 1.89 1
160.9 4.85 4
161.0 6.21 6
161.1 7.7 7
161.2 8.67 8
161.3 8.05 8
161.4 5.49 5
161.5 2.25 2
162.6 2.82 2
162.7 4.27 4
162.8 5.94 5
162.9 7.47 7
163.0 8.96 8
163.1 10.68 10
163.2 12.13 12
163.3 11.9 11
163.4 9.24 9
163.5 5.2 5
163.6 1.79 1
164.7 1.04 1
164.8 2.33 2
164.9 4.18 4
165.0 5.56 5
165.1 5.54 5
165.2 4.38 4
172.4 1.92 1
172.5 3.59 3
172.6 6.4 6
172.7 11.21 11
172.8 18.17 18
172.9 26.11 26
173.0 33.36 33
173.1 38.91 38
173.2 42.03 41
173.3 40.78 40
173.4 32.92 32
173.5 19.69 19
173.6 6.75 6
173.7 0.04 0
176.5 2.55 2
176.6 3.95 3
176.7 6.88 6
176.8 10.82 10
176.9 13.85 13
177.0 14.96 14
177.1 15.13 15
177.2 15.07 15
177.3 13.41 13
177.4 9.07 9
177.5 3.72 3
178.6 1.87 1
178.7 3.43 3
178.8 5.04 5
178.9 6.43 6
179.0 7.65 7
179.1 8.36 8
179.2 7.69 7
179.3 5.41 5
179.4 2.6 2
186.7 2.14 2
186.8 3.44 3
186.9 4.67 4
187.0 5.73 5
187.1 6.26 6
187.2 5.76 5
187.3 4.32 4
187.4 2.59 2
190.4 1.49 1
190.5 3.55 3
190.6 6.92 6
190.7 12.08 12
190.8 19.03 19
190.9 26.79 26
191.0 33.5 33
191.1 37.51 37
191.2 38.32 38
191.3 35.84 35
191.4 29.25 29
191.5 18.56 18
191.6 7.13 7
191.7 0.06 0
200.3 1.42 1
200.4 2.83 2
200.5 4.13 4
200.6 6.12 6
200.7 10.85 10
200.8 19.25 19
200.9 29.01 28
201.0 36.41 36
201.1 40.33 40
201.2 42.5 42
201.3 42.73 42
201.4 37.31 37
201.5 24.67 24
201.6 9.91 9
201.7 0.71 0
202.8 1.61 1
202.9 2.85 2
203.0 4.8 4
203.1 6.67 6
203.2 7.29 7
203.3 6.28 6
203.4 4.32 4
203.5 2.36 2
204.6 1.58 1
204.7 2.58 2
204.8 6.27 6
204.9 11.52 11
205.0 15.23 15
205.1 15.99 15
205.2 15.31 15
205.3 14.45 14
205.4 12.36 12
205.5 8.12 8
205.6 3.25 3
206.7 1.74 1
206.8 3.02 3
206.9 4.36 4
207.0 5.51 5
207.1 6.37 6
207.2 6.77 6
207.3 6.35 6
207.4 4.82 4
207.5 2.57 2
208.6 1.42 1
208.7 3.88 3
208.8 8.44 8
208.9 13.41 13
209.0 16.69 16
209.1 18.08 18
209.2 18.97 18
209.3 19.15 19
209.4 16.35 16
209.5 10.0 9
209.6 3.25 3
218.4 1.25 1
218.5 2.74 2
218.6 6.48 6
218.7 13.32 13
218.8 22.43 22
218.9 31.62 31
219.0 39.39 39
219.1 45.96 45
219.2 51.04 50
219.3 51.25 51
219.4 42.52 42
219.5 26.0 25
219.6 9.19 9
219.7 0.43 0
228.4 1.39 1
228.5 2.58 2
228.6 4.33 4
228.7 7.66 7
228.8 12.76 12
228.9 18.69 18
229.0 23.46 23
229.1 25.27 25
229.2 23.79 23
229.3 19.98 19
229.4 14.76 14
229.5 8.77 8
229.6 3.29 3
236.6 3.21 3
236.7 4.3 4
236.8 7.04 7
236.9 10.52 10
237.0 12.75 12
237.1 13.28 13
237.2 13.23 13
237.3 12.78 12
237.4 10.59 10
237.5 6.33 6
237.6 1.98 1
246.3 1.75 1
246.4 4.22 4
246.5 8.02 8
246.6 13.92 13
246.7 24.41 24
246.8 41.49 41
246.9 63.45 63
247.0 84.33 84
247.1 97.58 97
247.2 100.0 99
247.3 91.38 91
247.4 72.06 71
247.5 44.62 44
247.6 17.35 17
247.7 0.68 0
264.3 1.06 1
264.4 2.21 2
264.5 4.73 4
264.6 9.35 9
264.7 16.83 16
264.8 28.69 28
264.9 45.47 45
265.0 62.82 62
265.1 73.16 73
265.2 73.34 73
265.3 66.29 66
265.4 54.14 54
265.5 36.4 36
265.6 16.47 16
265.7 2.43 2
282.4 1.29 1
282.5 2.78 2
282.6 5.17 5
282.7 9.12 9
282.8 14.72 14
282.9 20.76 20
283.0 25.59 25
283.1 28.55 28
283.2 29.58 29
283.3 27.71 27
283.4 21.58 21
283.5 12.24 12
283.6 3.64 3
//
