MassBank Record: MSBNK-RIKEN_NPDepo-NGA03365
ACCESSION: MSBNK-RIKEN_NPDepo-NGA03365
RECORD_TITLE: 17alpha-Strophadogenin; 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, Cardanolides
CH$NAME: 17alpha-Strophadogenin
CH$COMPOUND_CLASS: Steroids
CH$FORMULA: C23H32O7
CH$EXACT_MASS: 420.5073
CH$SMILES: C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34C=O)C1(O)CC(O)[C@H]2C1=CC(=O)OC1
CH$IUPAC: InChI=1S/C23H32O7/c1-20-5-3-15-16(4-7-22(28)9-14(25)2-6-21(15,22)12-24)23(20,29)10-17(26)19(20)13-8-18(27)30-11-13/h8,12,14-17,19,25-26,28-29H,2-7,9-11H2,1H3/t14?,15?,16?,17?,19-,20-,21+,22?,23?/m1/s1
CH$LINK: CHEMSPIDER
10259292
CH$LINK: INCHIKEY
LKRKDJSHACERQF-NBJYSJMPSA-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: splash10-03di-0912000000-fc07b6fd69152afde3e1
PK$NUM_PEAK: 787
PK$PEAK: m/z int. rel.int.
118.6 1.58 1
118.7 3.18 3
118.8 5.34 5
118.9 7.05 7
119.0 7.52 7
119.1 6.81 6
119.2 5.44 5
119.3 3.8 3
119.4 2.17 2
120.5 1.06 1
120.6 2.19 2
120.7 3.86 3
120.8 5.51 5
120.9 6.31 6
121.0 5.93 5
121.1 4.85 4
130.5 1.55 1
130.6 3.29 3
130.7 5.33 5
130.8 6.17 6
130.9 5.12 5
132.6 1.06 1
132.7 2.52 2
132.8 5.46 5
132.9 9.37 9
133.0 12.41 12
133.1 12.87 12
133.2 10.6 10
133.3 6.99 6
133.4 3.6 3
134.5 1.53 1
134.6 2.67 2
134.7 3.64 3
134.8 4.32 4
134.9 4.66 4
135.0 4.32 4
135.1 3.17 3
140.7 1.38 1
140.8 2.69 2
140.9 4.27 4
141.0 5.29 5
141.1 5.17 5
141.2 4.05 4
141.3 2.51 2
142.5 1.1 1
142.6 2.65 2
142.7 4.54 4
142.8 6.26 6
142.9 7.82 7
143.0 9.53 9
143.1 10.91 10
143.2 10.75 10
143.3 8.39 8
143.4 4.72 4
143.5 1.5 1
144.3 1.8 1
144.4 3.37 3
144.5 4.87 4
144.6 6.65 6
144.7 10.85 10
144.8 18.64 18
144.9 28.66 28
145.0 36.65 36
145.1 38.72 38
145.2 34.31 34
145.3 25.57 25
145.4 15.28 15
145.5 6.2 6
145.6 0.73 0
148.6 0.77 0
148.7 2.06 2
148.8 3.82 3
148.9 5.15 5
149.0 5.31 5
149.1 4.47 4
149.2 3.29 3
156.7 3.37 3
156.8 5.09 5
156.9 6.91 6
157.0 7.69 7
157.1 7.1 7
157.2 5.76 5
157.3 4.3 4
157.4 2.81 2
158.6 1.64 1
158.7 3.26 3
158.8 6.39 6
158.9 10.02 10
159.0 11.98 11
159.1 11.15 11
159.2 8.62 8
159.3 6.05 6
159.4 3.91 3
159.5 2.01 2
160.2 1.43 1
160.3 2.95 2
160.4 6.03 6
160.5 11.18 11
160.6 19.1 19
160.7 30.66 30
160.8 46.34 46
160.9 65.05 64
161.0 83.07 82
161.1 95.65 95
161.2 99.99 99
161.3 94.95 94
161.4 78.79 78
161.5 52.07 52
161.6 22.7 22
161.7 2.59 2
162.6 1.62 1
162.7 2.74 2
162.8 5.05 5
162.9 7.99 7
163.0 9.88 9
163.1 9.11 9
163.2 5.84 5
163.3 2.15 2
168.5 1.58 1
168.6 2.68 2
168.7 3.74 3
168.8 4.24 4
168.9 4.07 4
169.0 3.71 3
169.1 3.63 3
169.2 3.67 3
169.3 3.23 3
170.5 2.44 2
170.6 4.18 4
170.7 6.72 6
170.8 9.35 9
170.9 12.03 12
171.0 14.85 14
171.1 16.51 16
171.2 15.09 15
171.3 10.56 10
171.4 5.23 5
171.5 1.5 1
172.6 1.47 1
172.7 3.41 3
172.8 5.27 5
172.9 5.88 5
173.0 5.23 5
173.1 4.65 4
173.2 5.13 5
173.3 6.0 5
173.4 5.68 5
173.5 3.76 3
173.6 1.47 1
174.6 1.44 1
174.7 3.02 3
174.8 6.18 6
174.9 9.86 9
175.0 11.94 11
175.1 11.11 11
175.2 8.0 7
175.3 4.4 4
175.4 1.72 1
178.6 1.8 1
178.7 3.2 3
178.8 4.52 4
178.9 4.87 4
179.0 3.85 3
179.1 2.08 2
180.5 1.01 1
180.6 2.39 2
180.7 4.48 4
180.8 6.03 6
180.9 6.15 6
181.0 5.34 5
181.1 4.61 4
181.2 3.95 3
181.3 2.82 2
183.0 6.02 6
183.1 7.7 7
183.2 9.34 9
183.3 9.51 9
183.4 7.42 7
183.5 3.91 3
184.5 1.32 1
184.6 3.09 3
184.7 6.07 6
184.8 9.53 9
184.9 11.98 11
185.0 12.63 12
185.1 11.91 11
185.2 10.25 10
185.3 7.41 7
185.4 3.76 3
186.4 1.02 1
186.5 2.13 2
186.6 3.86 3
186.7 6.0 5
186.8 8.16 8
186.9 10.67 10
187.0 13.41 13
187.1 14.89 14
187.2 13.57 13
187.3 9.92 9
187.4 5.98 5
187.5 3.16 3
188.8 4.86 4
188.9 5.84 5
189.0 7.85 7
189.1 9.72 9
189.2 9.53 9
189.3 6.78 6
189.4 3.08 3
192.7 1.43 1
192.8 3.08 3
192.9 5.08 5
193.0 6.07 6
193.1 5.15 5
193.2 3.05 3
196.4 1.2 1
196.5 2.2 2
196.6 4.18 4
196.7 7.68 7
196.8 11.82 11
196.9 14.72 14
197.0 15.38 15
197.1 14.22 14
197.2 11.88 11
197.3 8.64 8
197.4 5.28 5
197.5 2.93 2
198.4 2.06 2
198.5 3.6 3
198.6 4.84 4
198.7 5.6 5
198.8 6.69 6
198.9 9.69 9
199.0 14.69 14
199.1 18.85 18
199.2 18.81 18
199.3 14.22 14
199.4 7.91 7
199.5 2.95 2
208.6 0.81 0
208.7 2.04 2
208.8 4.19 4
208.9 6.24 6
209.0 6.69 6
209.1 5.27 5
209.2 3.18 3
212.7 2.07 2
212.8 4.01 4
212.9 5.83 5
213.0 6.4 6
213.1 5.46 5
213.2 3.93 3
213.3 2.74 2
214.6 1.75 1
214.7 2.92 2
214.8 4.26 4
214.9 5.63 5
215.0 6.8 6
215.1 7.34 7
215.2 6.88 6
215.3 5.57 5
215.4 4.03 4
218.7 1.64 1
218.8 2.74 2
218.9 4.16 4
219.0 5.01 5
219.1 4.57 4
219.2 3.1 3
226.6 1.01 1
226.7 2.58 2
226.8 4.66 4
226.9 5.93 5
227.0 5.48 5
227.1 4.07 4
227.2 3.11 3
227.3 2.97 2
227.4 2.8 2
227.5 2.02 2
227.6 1.01 1
227.7 0.33 0
227.8 0.17 0
227.9 0.2 0
228.0 0.27 0
228.1 0.27 0
228.2 0.25 0
228.3 0.23 0
228.4 0.23 0
228.5 0.24 0
228.6 0.32 0
228.7 0.62 0
228.8 1.37 1
228.9 2.53 2
229.0 3.56 3
229.1 3.78 3
229.2 3.06 3
230.6 1.58 1
230.7 3.32 3
230.8 5.16 5
230.9 5.77 5
231.0 4.53 4
231.1 2.35 2
232.7 1.88 1
232.8 3.2 3
232.9 4.97 4
233.0 5.97 5
233.1 5.5 5
233.2 4.05 4
233.3 2.52 2
242.8 2.23 2
242.9 3.63 3
243.0 5.04 5
243.1 5.44 5
243.2 4.23 4
243.3 2.09 2
246.6 1.49 1
246.7 3.57 3
246.8 5.46 5
246.9 6.1 6
247.0 5.37 5
247.1 4.08 4
247.2 2.89 2
260.6 3.1 3
260.7 3.97 3
260.8 5.43 5
260.9 7.27 7
261.0 8.74 8
261.1 8.87 8
261.2 7.14 7
261.3 4.21 4
261.4 1.57 1
274.5 0.54 0
274.6 1.74 1
274.7 3.48 3
274.8 5.06 5
274.9 6.65 6
275.0 9.23 9
275.1 12.93 12
275.2 15.54 15
275.3 14.41 14
275.4 9.69 9
275.5 4.25 4
275.6 0.76 0
284.7 1.52 1
284.8 2.87 2
284.9 4.43 4
285.0 5.42 5
285.1 5.12 5
285.2 3.59 3
285.3 1.7 1
292.8 3.16 3
292.9 4.52 4
293.0 6.15 6
293.1 7.41 7
293.2 7.37 7
293.3 5.59 5
293.4 2.94 2
302.6 1.85 1
302.7 3.6 3
302.8 5.91 5
302.9 7.98 7
303.0 9.14 9
303.1 9.56 9
303.2 9.79 9
303.3 9.55 9
303.4 7.85 7
303.5 4.7 4
303.6 1.64 1
320.4 2.39 2
320.5 3.45 3
320.6 4.44 4
320.7 6.33 6
320.8 10.8 10
320.9 18.43 18
321.0 27.65 27
321.1 35.44 35
321.2 38.66 38
321.3 35.21 35
321.4 25.58 25
321.5 13.46 13
321.6 3.78 3
330.6 1.14 1
330.7 2.44 2
330.8 3.84 3
330.9 4.71 4
331.0 5.01 5
331.1 4.99 4
331.2 4.49 4
331.3 3.22 3
338.7 1.81 1
338.8 4.31 4
338.9 9.47 9
339.0 16.56 16
339.1 22.51 22
339.2 24.49 24
339.3 22.09 22
339.4 16.61 16
339.5 9.75 9
339.6 3.59 3
348.7 2.12 2
348.8 3.29 3
348.9 5.62 5
349.0 8.6 8
349.1 10.78 10
349.2 10.72 10
349.3 8.15 8
349.4 4.38 4
349.5 1.32 1
366.6 0.98 0
366.7 2.15 2
366.8 3.45 3
366.9 4.14 4
367.0 3.82 3
367.1 2.83 2
367.2 1.83 1
367.3 1.16 1
367.4 0.76 0
367.5 0.45 0
367.6 0.26 0
367.7 0.22 0
367.8 0.24 0
367.9 0.28 0
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371.8 0.32 0
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403.3 24.94 24
403.4 19.45 19
403.5 10.33 10
403.6 2.45 2
420.6 1.33 1
420.7 3.0 2
420.8 5.03 5
420.9 6.67 6
421.0 7.73 7
421.1 8.8 8
421.2 9.86 9
421.3 9.65 9
421.4 7.18 7
421.5 3.46 3
//
system version 2.2.8-SNAPSHOT
